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.

1 – 15 of 517 results

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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-]

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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

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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

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Specifications

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

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
InChI Key	UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula	C5H5N5O

Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 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-]

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Specifications

PubChem CID	6202
CAS	67-03-8
Molecular Weight (g/mol)	337.263
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	C12H18Cl2N4OS

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

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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

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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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Specifications

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

Thermo Scientific Chemicals Cytosine, 98+%

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.10 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine PubChem CID: 597 ChEBI: CHEBI:16040 SMILES: NC1=CC=NC(=O)N1

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Specifications

PubChem CID	597
CAS	71-30-7
Molecular Weight (g/mol)	111.10
ChEBI	CHEBI:16040
MDL Number	MFCD00006034
SMILES	NC1=CC=NC(=O)N1
Synonym	cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine
InChI Key	OPTASPLRGRRNAP-UHFFFAOYSA-N
Molecular Formula	C4H5N3O

5-Fluorouracil, 99%

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O

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Specifications

PubChem CID	3385
CAS	51-21-8
Molecular Weight (g/mol)	130.08
ChEBI	CHEBI:46345
MDL Number	MFCD00006018
SMILES	FC1=CNC(=O)NC1=O
Synonym	5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton
IUPAC Name	5-fluoro-1H-pyrimidine-2,4-dione
InChI Key	GHASVSINZRGABV-UHFFFAOYSA-N
Molecular Formula	C4H3FN2O2

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

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Specifications

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

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

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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

5-Fluorocytosine, 98+%

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Specifications

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
InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula	C4H4FN3O

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Thermo Scientific Chemicals 5-Fluorouracil, 99%

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Specifications

PubChem CID	3385
CAS	51-21-8
Molecular Weight (g/mol)	130.08
ChEBI	CHEBI:46345
MDL Number	MFCD00006018
SMILES	FC1=CNC(=O)NC1=O
Synonym	5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton
IUPAC Name	5-fluoro-1H-pyrimidine-2,4-dione
InChI Key	GHASVSINZRGABV-UHFFFAOYSA-N
Molecular Formula	C4H3FN2O2

2-chloropyrimidine-5-carboxylic acid, 97%

CAS: 374068-01-6 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 MDL Number: MFCD06739036 InChI Key: DUCXUPKLVVSJKA-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid PubChem CID: 11094906 IUPAC Name: 2-chloropyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(Cl)N=C1

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Specifications

PubChem CID	11094906
CAS	374068-01-6
Molecular Weight (g/mol)	158.54
MDL Number	MFCD06739036
SMILES	OC(=O)C1=CN=C(Cl)N=C1
Synonym	2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid
IUPAC Name	2-chloropyrimidine-5-carboxylic acid
InChI Key	DUCXUPKLVVSJKA-UHFFFAOYSA-N
Molecular Formula	C5H3ClN2O2

5-Bromo-2-methoxypyrimidine, 97%

CAS: 14001-66-2 Molecular Formula: C₅H₅BrN₂O Molecular Weight (g/mol): 189.01 InChI Key: DWVCZDMMGYIULX-UHFFFAOYSA-N Synonym: 2-methoxy-5-bromopyrimidine,pyrimidine, 5-bromo-2-methoxy,5-bromo-2-methoxy-pyrimidine,5-bromo-2-methoxy-1,3-diazine,5-bromopyrimidin-2-yl methyl ether,5-bromo-2-methyloxy pyrimidine,pubchem5264,acmc-209cjt,5-bromo-2methoxypyrimidine,ksc494g8n PubChem CID: 139657 IUPAC Name: 5-bromo-2-methoxypyrimidine SMILES: COC1=NC=C(C=N1)Br

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Specifications

PubChem CID	139657
CAS	14001-66-2
Molecular Weight (g/mol)	189.01
SMILES	COC1=NC=C(C=N1)Br
Synonym	2-methoxy-5-bromopyrimidine,pyrimidine, 5-bromo-2-methoxy,5-bromo-2-methoxy-pyrimidine,5-bromo-2-methoxy-1,3-diazine,5-bromopyrimidin-2-yl methyl ether,5-bromo-2-methyloxy pyrimidine,pubchem5264,acmc-209cjt,5-bromo-2methoxypyrimidine,ksc494g8n
IUPAC Name	5-bromo-2-methoxypyrimidine
InChI Key	DWVCZDMMGYIULX-UHFFFAOYSA-N
Molecular Formula	C₅H₅BrN₂O

4-Chloro-7-methyl-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidine, 96%

CAS: 137438-23-4 Molecular Formula: C11H11ClN2S Molecular Weight (g/mol): 238.733 MDL Number: MFCD02333821 InChI Key: ZSDWARZBRRSRLT-UHFFFAOYSA-N Synonym: 4-chloro-7-methyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydrobenzo 4,5 thieno 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydrobenzo b thiopheno 2,3-d pyrimidine,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6-tetraene,rs-4-chloro-7-methyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydro-1 benzothiolo 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydrobenzo b thieno 2,3-d pyrimidine,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0 2 , trideca-1 9 ,2,4,6-tetraene,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0?,? trideca-1 9 ,2,4,6-tetraene,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0^ 2,7 trideca-1 9 ,2 7 ,3,5-tetraene PubChem CID: 2790841 IUPAC Name: 4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine SMILES: CC1CCC2=C(C1)SC3=C2C(=NC=N3)Cl

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Specifications

PubChem CID	2790841
CAS	137438-23-4
Molecular Weight (g/mol)	238.733
MDL Number	MFCD02333821
SMILES	CC1CCC2=C(C1)SC3=C2C(=NC=N3)Cl
Synonym	4-chloro-7-methyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydrobenzo 4,5 thieno 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydrobenzo b thiopheno 2,3-d pyrimidine,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6-tetraene,rs-4-chloro-7-methyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydro-1 benzothiolo 2,3-d pyrimidine,4-chloro-7-methyl-5,6,7,8-tetrahydrobenzo b thieno 2,3-d pyrimidine,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0 2 , trideca-1 9 ,2,4,6-tetraene,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0?,? trideca-1 9 ,2,4,6-tetraene,3-chloro-11-methyl-8-thia-4,6-diazatricyclo 7.4.0.0^ 2,7 trideca-1 9 ,2 7 ,3,5-tetraene
IUPAC Name	4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
InChI Key	ZSDWARZBRRSRLT-UHFFFAOYSA-N
Molecular Formula	C11H11ClN2S

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