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Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.

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1

2-Thioxanthine, 98+%

CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2

PubChem CID 1268185
CAS 2487-40-3
Molecular Weight (g/mol) 168.174
MDL Number MFCD00031505
SMILES C1=NC2=C(N1)C(=O)NC(=S)N2
Synonym 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo
IUPAC Name 2-sulfanylidene-3,7-dihydropurin-6-one
InChI Key XNHFAGRBSMMFKL-UHFFFAOYSA-N
Molecular Formula C5H4N4OS
2

2-Fluoroadenine, 97%

CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1

PubChem CID 12790
CAS 700-49-2
Molecular Weight (g/mol) 153.12
ChEBI CHEBI:72457
MDL Number MFCD01632749
SMILES NC1=C2NC=NC2=NC(F)=N1
Synonym 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro
IUPAC Name 2-fluoro-7H-purin-6-amine
InChI Key WKMPTBDYDNUJLF-UHFFFAOYSA-N
Molecular Formula C5H4FN5
3

Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12

PubChem CID 2723654
CAS 362-75-4
Molecular Weight (g/mol) 307.31
MDL Number MFCD00005756
SMILES CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
Synonym 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185
IUPAC Name [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
InChI Key LCCLUOXEZAHUNS-AUWRGFAENA-N
Molecular Formula C13H17N5O4
4

2',3'-O-Isopropylideneadenosine, 98%

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12

PubChem CID 2723654
CAS 362-75-4
Molecular Weight (g/mol) 307.31
MDL Number MFCD00005756
SMILES CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
Synonym 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185
InChI Key LCCLUOXEZAHUNS-AUWRGFAENA-N
Molecular Formula C13H17N5O4
5

2-Amino-6-hydroxy-8-mercaptopurine, 97%

CAS: 28128-40-7 Molecular Formula: C5H5N5OS Molecular Weight (g/mol): 183.19 MDL Number: MFCD00075623 InChI Key: JHEKNTQSGTVPAO-UHFFFAOYSA-N Synonym: 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one PubChem CID: 2725005 IUPAC Name: 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one SMILES: C12=C(NC(=NC1=O)N)NC(=S)N2

PubChem CID 2725005
CAS 28128-40-7
Molecular Weight (g/mol) 183.19
MDL Number MFCD00075623
SMILES C12=C(NC(=NC1=O)N)NC(=S)N2
Synonym 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one
IUPAC Name 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one
InChI Key JHEKNTQSGTVPAO-UHFFFAOYSA-N
Molecular Formula C5H5N5OS
6

7-(2-Chloroethyl)theophylline, 97%, Thermo Scientific Chemicals

CAS: 5878-61-5 Molecular Formula: C9H11ClN4O2 Molecular Weight (g/mol): 242.663 MDL Number: MFCD00005760 InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl PubChem CID: 1882 IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

PubChem CID 1882
CAS 5878-61-5
Molecular Weight (g/mol) 242.663
MDL Number MFCD00005760
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Synonym 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl
IUPAC Name 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
InChI Key QCIARNIKNKKHFH-UHFFFAOYSA-N
Molecular Formula C9H11ClN4O2
9

2-Methyladenine Hemisulfate, CDN

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Percent Purity min 97% Chemical Purity
CAS 74873-18-0
Molecular Weight (g/mol) 396.385
InChI Formula InChI=1 S/2C6H7N5.H2O4S/c2*1-3-10-5(7)4-6(11-3)9-2-8-4;1-5(2,3)4/h2*2 H,1H3,(H3,7,8,9,10,11);(H2,1,2,3,4)
Chemical Name or Material 2-Methyladenine Hemisulfate
SMILES Cc1nc(N)c2[nH]cnc2n1.Cc3nc(N)c4[nH]cnc4n3.OS(=O)(=O)O
Synonym 1 H-Purin-6-amine, 2-methyl-, sulfate (2:1) (9 CI),2-Methyl-9 H-purin-6-amine sulfate (2:1),2-Methyl-6-aminopurine hemisulfate,2-Methyl-7 H-purin-6-amine hemisulfate,2-Methyladenine hemisulfate
Recommended Storage Room Temperature
IUPAC Name 2-methyl-7 H-purin-6-amine;sulfuric acid
Molecular Formula 2 C6 H7 N5 . H2 O4 S
Formula Weight 396.1077 g/mol
10

9-(2-Hydroxyethyl)guanine, TRC

CAS: 23169-33-7 Molecular Formula: C7 H9 N5 O2 Molecular Weight (g/mol): 195.18 Synonym: 6H-Purin-6-one, 2-amino-1,9-dihydro-9-(2-hydroxyethyl)-,Guanine, 9-(2-hydroxyethyl)- (8CI),2-Amino-1,9-dihydro-9-(2-hydroxyethyl)-6H-purin-6-one,9-(2-Hydroxyethyl)guanine,9-(2'-Hydroxyethyl)guanine,NSC 40668,32W88,GW 318209X,Ph Eur Aciclovir Impurity P,32W88 IUPAC Name: 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one SMILES: NC1=Nc2c(ncn2CCO)C(=O)N1

CAS 23169-33-7
Molecular Weight (g/mol) 195.18
SMILES NC1=Nc2c(ncn2CCO)C(=O)N1
Synonym 6H-Purin-6-one, 2-amino-1,9-dihydro-9-(2-hydroxyethyl)-,Guanine, 9-(2-hydroxyethyl)- (8CI),2-Amino-1,9-dihydro-9-(2-hydroxyethyl)-6H-purin-6-one,9-(2-Hydroxyethyl)guanine,9-(2'-Hydroxyethyl)guanine,NSC 40668,32W88,GW 318209X,Ph Eur Aciclovir Impurity P,32W88
IUPAC Name 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one
Molecular Formula C7 H9 N5 O2
11

2-Amino-6-mercaptopurine, TRC

CAS: 154-42-7 Molecular Formula: C5 H5 N5 S Molecular Weight (g/mol): 167.19 Synonym: 6H-Purine-6-thione, 2-amino-1,9-dihydro-,6H-Purine-6-thione, 2-amino-1,7-dihydro- (9CI),Purine-6(1H)-thione, 2,3-dihydro-2-imino- (6CI),Purine-6(1H)-thione, 2-amino- (7CI,8CI),Purine-6-thiol, 2-amino- (8CI),2-Amino-3,7-dihydropurine-6-thione,2-Amino-6-mercaptopurine,2-Amino-9H-purine-6(1H)-thione,2-Amino-9H-purine-6-thiol,2-Aminopurine-6-thiol,6-Mercaptoguanine,6-TG,6-Thioguanine,Guanine, thio-,Lanvis,NSC 752,NSC 76504,Tabloid,Thioguanine,Thioguanine Tabloid,Tioguanin,Tioguanine IUPAC Name: 2-amino-1,7-dihydropurine-6-thione SMILES: NC1=Nc2nc[nH]c2C(=S)N1

CAS 154-42-7
Molecular Weight (g/mol) 167.19
SMILES NC1=Nc2nc[nH]c2C(=S)N1
Synonym 6H-Purine-6-thione, 2-amino-1,9-dihydro-,6H-Purine-6-thione, 2-amino-1,7-dihydro- (9CI),Purine-6(1H)-thione, 2,3-dihydro-2-imino- (6CI),Purine-6(1H)-thione, 2-amino- (7CI,8CI),Purine-6-thiol, 2-amino- (8CI),2-Amino-3,7-dihydropurine-6-thione,2-Amino-6-mercaptopurine,2-Amino-9H-purine-6(1H)-thione,2-Amino-9H-purine-6-thiol,2-Aminopurine-6-thiol,6-Mercaptoguanine,6-TG,6-Thioguanine,Guanine, thio-,Lanvis,NSC 752,NSC 76504,Tabloid,Thioguanine,Thioguanine Tabloid,Tioguanin,Tioguanine
IUPAC Name 2-amino-1,7-dihydropurine-6-thione
Molecular Formula C5 H5 N5 S
12

N6-(2-Isopentenyl)adenine, TRC

CAS: 2365-40-4 Molecular Formula: C10H13N5 Molecular Weight (g/mol): 203.24 Synonym: 6-(3,3-Dimethylallylamino)purine,N-(3-Methyl-2-buten-1-yl)-9H-purin-6-amine,2Ip,6-(3-Methyl-2-buten-1-ylamino)purine,6-(δ2-Isopentenylamino)purine,6-(γ,γ-Dimethylallylamino)purine,6-Isopentenyladenine,6-N-(3-Methylbut-2-enylamino)purine,6-[(3-Methyl-2-butenyl)amino]purine,Bryokinin,DMAA,Enadenine,IPA,Isopentenyladenine,N-(3-Methyl-2-butenyl)-1H-purin-6-amine,N-(3-Methyl-2-butenyl)adenine,N-(γ,γ-Dimethylallyl)adenine,N6-(2-Isopentenyl)adenine,N6-(3-Methyl-2-butenyl)adenine,N6-(δ2-Isopentenyl)adenine,N6-(δ2-Isopentenyl)aminopurine,N6-(γ,γ-Dimethylallyl)aminopurine,N6-Isopentenyladenine,NSC 106958; IUPAC Name: N-(3-methylbut-2-enyl)-7H-purin-6-amine SMILES: CC(=CCNC1=C2C(=NC=N2)NC=N1)C

CAS 2365-40-4
Molecular Weight (g/mol) 203.24
SMILES CC(=CCNC1=C2C(=NC=N2)NC=N1)C
Synonym 6-(3,3-Dimethylallylamino)purine,N-(3-Methyl-2-buten-1-yl)-9H-purin-6-amine,2Ip,6-(3-Methyl-2-buten-1-ylamino)purine,6-(δ2-Isopentenylamino)purine,6-(γ,γ-Dimethylallylamino)purine,6-Isopentenyladenine,6-N-(3-Methylbut-2-enylamino)purine,6-[(3-Methyl-2-butenyl)amino]purine,Bryokinin,DMAA,Enadenine,IPA,Isopentenyladenine,N-(3-Methyl-2-butenyl)-1H-purin-6-amine,N-(3-Methyl-2-butenyl)adenine,N-(γ,γ-Dimethylallyl)adenine,N6-(2-Isopentenyl)adenine,N6-(3-Methyl-2-butenyl)adenine,N6-(δ2-Isopentenyl)adenine,N6-(δ2-Isopentenyl)aminopurine,N6-(γ,γ-Dimethylallyl)aminopurine,N6-Isopentenyladenine,NSC 106958;
IUPAC Name N-(3-methylbut-2-enyl)-7H-purin-6-amine
Molecular Formula C10H13N5
13

2-Amino-1,7-dihydro-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6H-purin-6-one, TRC

CAS: 84222-50-4 Molecular Formula: C9 H13 N5 O4 Molecular Weight (g/mol): 255.23 Synonym: 2-Amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1,7-dihydro-6H-purin-6-one,Ganciclovir Imp. H (EP),N-7 Isomer of Ganciclovir IUPAC Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one SMILES: NC1=Nc2ncn(COC(CO)CO)c2C(=O)N1

CAS 84222-50-4
Molecular Weight (g/mol) 255.23
SMILES NC1=Nc2ncn(COC(CO)CO)c2C(=O)N1
Synonym 2-Amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1,7-dihydro-6H-purin-6-one,Ganciclovir Imp. H (EP),N-7 Isomer of Ganciclovir
IUPAC Name 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
Molecular Formula C9 H13 N5 O4
14

2-Amino-6,8-dihydroxypurine Hydrochloride (~90%), TRC

CAS: 1246818-54-1 Molecular Formula: C5H6ClN5O2 Molecular Weight (g/mol): 203.59 Synonym: 2-Amino-7,9-dihydro-1H-purine-6,8-dione Hydrochloride,2-Amino-6,8-purinediol Hydrochloride,8-Hydroxyguanine Hydrochloride,8-Oxo-7,8-dihydroguanine Hydrochloride,8-Oxoguanine Hydrochloride,NSC 22720; IUPAC Name: 2-amino-8-hydroxy-1,7-dihydropurin-6-one;hydrochloride SMILES: C12=C(NC(=N)N=C1O)NC(=N2)O.Cl

CAS 1246818-54-1
Molecular Weight (g/mol) 203.59
SMILES C12=C(NC(=N)N=C1O)NC(=N2)O.Cl
Synonym 2-Amino-7,9-dihydro-1H-purine-6,8-dione Hydrochloride,2-Amino-6,8-purinediol Hydrochloride,8-Hydroxyguanine Hydrochloride,8-Oxo-7,8-dihydroguanine Hydrochloride,8-Oxoguanine Hydrochloride,NSC 22720;
IUPAC Name 2-amino-8-hydroxy-1,7-dihydropurin-6-one;hydrochloride
Molecular Formula C5H6ClN5O2
15

8-Bromo-3-methyl-7-(2-butynyl)-xanthine, TRC

CAS: 666816-98-4 Molecular Formula: C10 H9 Br N4 O2 Molecular Weight (g/mol): 297.108 Synonym: Linagliptin Related Compound A, 8-bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione IUPAC Name: 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione SMILES: CC#CCn1c(Br)nc2N(C)C(=O)NC(=O)c12

CAS 666816-98-4
Molecular Weight (g/mol) 297.108
SMILES CC#CCn1c(Br)nc2N(C)C(=O)NC(=O)c12
Synonym Linagliptin Related Compound A, 8-bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
IUPAC Name 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione
Molecular Formula C10 H9 Br N4 O2