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Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.
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Keyword Search:
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Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

EDGE
PubChem CID 6202
CAS 67-03-8
Molecular Weight (g/mol) 337.26
ChEBI CHEBI:49105
MDL Number MFCD00012780
SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula C12H17ClN4OS·HCl
2
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Guanine, 99+%

CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC Name: 2-amino-3,7-dihydropurin-6-one SMILES: NC1=NC(=O)C2=C(N1)N=CN2

EDGE
PubChem CID 764
CAS 73-40-5
Molecular Weight (g/mol) 151.13
ChEBI CHEBI:16235
MDL Number MFCD00071533
SMILES NC1=NC(=O)C2=C(N1)N=CN2
Synonym guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
IUPAC Name 2-amino-3,7-dihydropurin-6-one
InChI Key UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula C5H5N5O
3
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5-Fluorocytosine, 99+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one SMILES: NC1=C(F)C=NC(=O)N1

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PubChem CID 3366
CAS 2022-85-7
Molecular Weight (g/mol) 129.09
ChEBI CHEBI:5100
MDL Number MFCD00006035,MFCD00179326,MFCD03547958
SMILES NC1=C(F)C=NC(=O)N1
Synonym 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
IUPAC Name 6-amino-5-fluoro-1H-pyrimidin-2-one
InChI Key XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula C4H4FN3O
4
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Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

PubChem CID 1174
CAS 66-22-8
Molecular Weight (g/mol) 112.09
ChEBI CHEBI:17568
MDL Number MFCD00006016
SMILES O=C1NC=CC(=O)N1
Synonym uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name 1H-pyrimidine-2,4-dione
InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
5
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Thymine, 99%

CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

PubChem CID 1135
CAS 65-71-4
Molecular Weight (g/mol) 126.11
ChEBI CHEBI:17821
MDL Number MFCD00006026
SMILES CC1=CNC(=O)NC1=O
Synonym thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name 5-methyl-1H-pyrimidine-2,4-dione
InChI Key RWQNBRDOKXIBIV-UHFFFAOYSA-N
Molecular Formula C5H6N2O2
6

2-Aminopyrimidine, 98%

CAS: 109-12-6 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.11 MDL Number: MFCD00006089 InChI Key: LJXQPZWIHJMPQQ-UHFFFAOYSA-N Synonym: 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino PubChem CID: 7978 ChEBI: CHEBI:38618 IUPAC Name: pyrimidin-2-amine SMILES: NC1=NC=CC=N1

PubChem CID 7978
CAS 109-12-6
Molecular Weight (g/mol) 95.11
ChEBI CHEBI:38618
MDL Number MFCD00006089
SMILES NC1=NC=CC=N1
Synonym 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino
IUPAC Name pyrimidin-2-amine
InChI Key LJXQPZWIHJMPQQ-UHFFFAOYSA-N
Molecular Formula C4H5N3
7

Thermo Scientific Chemicals 5-Bromouracil, 98%

CAS: 51-20-7 Molecular Formula: C4H3BrN2O2 Molecular Weight (g/mol): 190.98 MDL Number: MFCD00006017 InChI Key: LQLQRFGHAALLLE-UHFFFAOYSA-N Synonym: 5-bromouracil,bromouracil,uracil, 5-bromo,5-bromopyrimidine-2,4 1h,3h-dione,5-bromo-2,4 1h,3h-pyrimidinedione,5-bromo-2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione, 5-bromo,5-bromopyrimidine-2,4-diol,unii-4hk400g5uo,5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 5802 ChEBI: CHEBI:20552 IUPAC Name: 5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: BrC1=CNC(=O)NC1=O

PubChem CID 5802
CAS 51-20-7
Molecular Weight (g/mol) 190.98
ChEBI CHEBI:20552
MDL Number MFCD00006017
SMILES BrC1=CNC(=O)NC1=O
Synonym 5-bromouracil,bromouracil,uracil, 5-bromo,5-bromopyrimidine-2,4 1h,3h-dione,5-bromo-2,4 1h,3h-pyrimidinedione,5-bromo-2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione, 5-bromo,5-bromopyrimidine-2,4-diol,unii-4hk400g5uo,5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name 5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
InChI Key LQLQRFGHAALLLE-UHFFFAOYSA-N
Molecular Formula C4H3BrN2O2
8

N4-Benzoylcytosine, 98%

CAS: 26661-13-2 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD00239434 InChI Key: XBDUZBHKKUFFRH-UHFFFAOYSA-N Synonym: n4-benzoylcytosine,n-2-oxo-1,2-dihydropyrimidin-4-yl benzamide,n-benzoylcytosine,n-4-benzoyl cytosine,benzamide, n-1,2-dihydro-2-oxo-4-pyrimidinyl,n-2-oxo-1h-pyrimidin-6-yl benzamide,benzamide, n-2,3-dihydro-2-oxo-4-pyrimidinyl,n-2-oxohydropyrimidin-4-yl benzamide,n-2-oxo-1h-pyrimidin-4-yl benzamide,n-benzoyl cytosine PubChem CID: 309343 IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)benzamide SMILES: O=C(NC1=CC=NC(=O)N1)C1=CC=CC=C1

PubChem CID 309343
CAS 26661-13-2
Molecular Weight (g/mol) 215.21
MDL Number MFCD00239434
SMILES O=C(NC1=CC=NC(=O)N1)C1=CC=CC=C1
Synonym n4-benzoylcytosine,n-2-oxo-1,2-dihydropyrimidin-4-yl benzamide,n-benzoylcytosine,n-4-benzoyl cytosine,benzamide, n-1,2-dihydro-2-oxo-4-pyrimidinyl,n-2-oxo-1h-pyrimidin-6-yl benzamide,benzamide, n-2,3-dihydro-2-oxo-4-pyrimidinyl,n-2-oxohydropyrimidin-4-yl benzamide,n-2-oxo-1h-pyrimidin-4-yl benzamide,n-benzoyl cytosine
IUPAC Name N-(2-oxo-1H-pyrimidin-6-yl)benzamide
InChI Key XBDUZBHKKUFFRH-UHFFFAOYSA-N
Molecular Formula C11H9N3O2
9

5-Chloropyrimidine, 95%

CAS: 17180-94-8 Molecular Formula: C4H3ClN2 Molecular Weight (g/mol): 114.53 MDL Number: MFCD03840717 InChI Key: ZLNPDTOTEVIMMY-UHFFFAOYSA-N Synonym: pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci PubChem CID: 12600384 IUPAC Name: 5-chloropyrimidine SMILES: ClC1=CN=CN=C1

PubChem CID 12600384
CAS 17180-94-8
Molecular Weight (g/mol) 114.53
MDL Number MFCD03840717
SMILES ClC1=CN=CN=C1
Synonym pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci
IUPAC Name 5-chloropyrimidine
InChI Key ZLNPDTOTEVIMMY-UHFFFAOYSA-N
Molecular Formula C4H3ClN2
10

Pyrimidine-2-carboxylic acid, 95%

CAS: 31519-62-7 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00856161 InChI Key: ZFCHNZDUMIOWFV-UHFFFAOYSA-N Synonym: 2-pyrimidinecarboxylic acid,2-carboxypyrimidine,pyrimidine carboxylic acid,pyrimidinecarboxylic acid,2-carboxy-1,3-diazine,2-pyrimidinecarboxylic acid 6ci,8ci,9ci,2-pyrimidinecarboxylicacid,2-carboxy pyrimidine,pubchem9603,pyrimidine-carboxylic acid PubChem CID: 12626245 IUPAC Name: pyrimidine-2-carboxylic acid SMILES: OC(=O)C1=NC=CC=N1

PubChem CID 12626245
CAS 31519-62-7
Molecular Weight (g/mol) 124.10
MDL Number MFCD00856161
SMILES OC(=O)C1=NC=CC=N1
Synonym 2-pyrimidinecarboxylic acid,2-carboxypyrimidine,pyrimidine carboxylic acid,pyrimidinecarboxylic acid,2-carboxy-1,3-diazine,2-pyrimidinecarboxylic acid 6ci,8ci,9ci,2-pyrimidinecarboxylicacid,2-carboxy pyrimidine,pubchem9603,pyrimidine-carboxylic acid
IUPAC Name pyrimidine-2-carboxylic acid
InChI Key ZFCHNZDUMIOWFV-UHFFFAOYSA-N
Molecular Formula C5H4N2O2
11

4,6-Dichloropyrimidine, 97%

CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: ClC1=CC(Cl)=NC=N1

PubChem CID 70943
CAS 1193-21-1
Molecular Weight (g/mol) 148.97
MDL Number MFCD00006109
SMILES ClC1=CC(Cl)=NC=N1
Synonym pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine
IUPAC Name 4,6-dichloropyrimidine
InChI Key XJPZKYIHCLDXST-UHFFFAOYSA-N
Molecular Formula C4H2Cl2N2
12

2-Amino-4-chloro-6-methoxypyrimidine, 95%, Thermo Scientific™

CAS: 5734-64-5 Molecular Formula: C5H6ClN3O Molecular Weight (g/mol): 159.57 MDL Number: MFCD00233535 InChI Key: VFEYBTFCBZMBAU-UHFFFAOYSA-N Synonym: 2-amino-4-chloro-6-methoxypyrimidine,2-pyrimidinamine, 4-chloro-6-methoxy,2-amino-6-chloro-4-methoxypyrimidine,pyrimidine, 2-amino-4-chloro-6-methoxy,2-amino-4-methoxy-6-chloro pyrimidine,4-chloro-6-methoxy-2-pyrimidinamine,2-amino-4-chloro-6-methoxylpyrimidine,2-amino-4-chloro-6-methoxy pyrimidine,2-amino-4-chloro-6-methoxy-pyrimidine,4-chloro-6-methoxy-pyrimidin-2-ylamine PubChem CID: 79811 IUPAC Name: 4-chloro-6-methoxypyrimidin-2-amine SMILES: COC1=CC(Cl)=NC(N)=N1

PubChem CID 79811
CAS 5734-64-5
Molecular Weight (g/mol) 159.57
MDL Number MFCD00233535
SMILES COC1=CC(Cl)=NC(N)=N1
Synonym 2-amino-4-chloro-6-methoxypyrimidine,2-pyrimidinamine, 4-chloro-6-methoxy,2-amino-6-chloro-4-methoxypyrimidine,pyrimidine, 2-amino-4-chloro-6-methoxy,2-amino-4-methoxy-6-chloro pyrimidine,4-chloro-6-methoxy-2-pyrimidinamine,2-amino-4-chloro-6-methoxylpyrimidine,2-amino-4-chloro-6-methoxy pyrimidine,2-amino-4-chloro-6-methoxy-pyrimidine,4-chloro-6-methoxy-pyrimidin-2-ylamine
IUPAC Name 4-chloro-6-methoxypyrimidin-2-amine
InChI Key VFEYBTFCBZMBAU-UHFFFAOYSA-N
Molecular Formula C5H6ClN3O
13

2,4-Dihydroxypyrimidine-5-carboxylic acid, 98%

CAS: 23945-44-0 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.1 MDL Number: MFCD00149397 InChI Key: ZXYAAVBXHKCJJB-UHFFFAOYSA-N Synonym: 2,4-dihydroxypyrimidine-5-carboxylic acid,uracil 5-carboxylic acid,isoorotic acid,uracil-5-carboxylic acid,5-carboxyuracil,2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid,2,4-dihydroxy-5-pyrimidinecarboxylic acid,5-uracilcarboxylic acid,5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo,uracil 5-carboxylate PubChem CID: 90301 ChEBI: CHEBI:17477 IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid SMILES: C1=C(C(=O)NC(=O)N1)C(=O)O

PubChem CID 90301
CAS 23945-44-0
Molecular Weight (g/mol) 156.1
ChEBI CHEBI:17477
MDL Number MFCD00149397
SMILES C1=C(C(=O)NC(=O)N1)C(=O)O
Synonym 2,4-dihydroxypyrimidine-5-carboxylic acid,uracil 5-carboxylic acid,isoorotic acid,uracil-5-carboxylic acid,5-carboxyuracil,2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid,2,4-dihydroxy-5-pyrimidinecarboxylic acid,5-uracilcarboxylic acid,5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo,uracil 5-carboxylate
IUPAC Name 2,4-dioxo-1H-pyrimidine-5-carboxylic acid
InChI Key ZXYAAVBXHKCJJB-UHFFFAOYSA-N
Molecular Formula C5H4N2O4
14

4-Amino-2-mercaptopyrimidine, 97%

CAS: 333-49-3 Molecular Formula: C4H5N3S Molecular Weight (g/mol): 127.17 InChI Key: DCPSTSVLRXOYGS-UHFFFAOYSA-N Synonym: 2-thiocytosine,4-amino-2-mercaptopyrimidine,thiocytosine,4-aminopyrimidine-2-thiol,cytosine, thio,cytosine, 2-thio,2 1h-pyrimidinethione, 4-amino,2 1h-pyrimidinone, 4-aminothio,4-amino-2 1h-pyrimidinethione,4-amino-2-thiopyrimidine PubChem CID: 2724245 IUPAC Name: 6-amino-1H-pyrimidine-2-thione SMILES: C1=C(NC(=S)N=C1)N

PubChem CID 2724245
CAS 333-49-3
Molecular Weight (g/mol) 127.17
SMILES C1=C(NC(=S)N=C1)N
Synonym 2-thiocytosine,4-amino-2-mercaptopyrimidine,thiocytosine,4-aminopyrimidine-2-thiol,cytosine, thio,cytosine, 2-thio,2 1h-pyrimidinethione, 4-amino,2 1h-pyrimidinone, 4-aminothio,4-amino-2 1h-pyrimidinethione,4-amino-2-thiopyrimidine
IUPAC Name 6-amino-1H-pyrimidine-2-thione
InChI Key DCPSTSVLRXOYGS-UHFFFAOYSA-N
Molecular Formula C4H5N3S
15

2-Amino-6-chloropurine, 99+%, Thermo Scientific Chemicals

CAS: 10310-21-1 Molecular Formula: C5H4ClN5 Molecular Weight (g/mol): 169.57 MDL Number: MFCD00075252 InChI Key: RYYIULNRIVUMTQ-UHFFFAOYSA-N Synonym: 2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine PubChem CID: 5360349 ChEBI: CHEBI:72345 IUPAC Name: 6-chloro-7H-purin-2-amine SMILES: NC1=NC(Cl)=C2NC=NC2=N1

PubChem CID 5360349
CAS 10310-21-1
Molecular Weight (g/mol) 169.57
ChEBI CHEBI:72345
MDL Number MFCD00075252
SMILES NC1=NC(Cl)=C2NC=NC2=N1
Synonym 2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine
IUPAC Name 6-chloro-7H-purin-2-amine
InChI Key RYYIULNRIVUMTQ-UHFFFAOYSA-N
Molecular Formula C5H4ClN5