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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 – 11 of 11 results
1

Theophylline-7-acetic acid, 98%

CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

PubChem CID 69550
CAS 652-37-9
Molecular Weight (g/mol) 260.19
MDL Number MFCD00022832
SMILES [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
Synonym acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid
IUPAC Name 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
InChI Key MSFVZSOKOXZSME-UHFFFAOYSA-M
Molecular Formula C9H9N4NaO4
2

Uric acid, 99% max., MP Biomedicals™

CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

PubChem CID 1175
CAS 69-93-2
Molecular Weight (g/mol) 168.112
ChEBI CHEBI:17775
SMILES C12=C(NC(=O)N1)NC(=O)NC2=O
Synonym uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
IUPAC Name 7,9-dihydro-3H-purine-2,6,8-trione
InChI Key LEHOTFFKMJEONL-UHFFFAOYSA-N
Molecular Formula C5H4N4O3
3

Theophylline-7-acetic Acid 98.0+%, TCI America™

CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: sodium 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

PubChem CID 69550
CAS 652-37-9
Molecular Weight (g/mol) 260.19
MDL Number MFCD00022832
SMILES [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
Synonym acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid
IUPAC Name sodium 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
InChI Key MSFVZSOKOXZSME-UHFFFAOYSA-M
Molecular Formula C9H9N4NaO4
4

MilliporeSigma™ Adenine, ≥98%, Calbiochem™,

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
5

Tenofovir Hydrate 98.0+%, TCI America™

CAS: 147127-20-6 Molecular Formula: C9H14N5O4P Molecular Weight (g/mol): 287.216 MDL Number: MFCD00943794 InChI Key: SGOIRFVFHAKUTI-ZCFIWIBFSA-N Synonym: (R)-[[2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid PubChem CID: 464205 ChEBI: CHEBI:63625 IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid SMILES: CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

PubChem CID 464205
CAS 147127-20-6
Molecular Weight (g/mol) 287.216
ChEBI CHEBI:63625
MDL Number MFCD00943794
SMILES CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O
Synonym (R)-[[2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid
IUPAC Name [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
InChI Key SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Molecular Formula C9H14N5O4P
6

Diethyl [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonate 95.0+%, TCI America™

CAS: 116384-53-3 Molecular Formula: C12H20N5O4P Molecular Weight (g/mol): 329.30 MDL Number: MFCD07783825 InChI Key: SACBMARVYGBCAK-UHFFFAOYSA-N Synonym: 9-[2-(Diethoxyphosphorylmethoxy)ethyl]adenine, [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonic Acid Diethyl Ester PubChem CID: 472244 IUPAC Name: diethyl {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate SMILES: CCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCC

PubChem CID 472244
CAS 116384-53-3
Molecular Weight (g/mol) 329.30
MDL Number MFCD07783825
SMILES CCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCC
Synonym 9-[2-(Diethoxyphosphorylmethoxy)ethyl]adenine, [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonic Acid Diethyl Ester
IUPAC Name diethyl {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate
InChI Key SACBMARVYGBCAK-UHFFFAOYSA-N
Molecular Formula C12H20N5O4P
7

Adenine Hemisulfate Dihydrate, ≥99%, MP Biomedicals™

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

PubChem CID 44134512
CAS 6509-19-9
Molecular Weight (g/mol) 404.36
MDL Number MFCD00150149
SMILES O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2
IUPAC Name bis(7H-purin-6-amine) sulfuric acid dihydrate
InChI Key MKPCNMXYTMQZBE-UHFFFAOYSA-N
Molecular Formula C10H16N10O6S
8

Adenine Hemisulfate Dihydrate MP Biomedicals

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

PubChem CID 44134512
CAS 6509-19-9
Molecular Weight (g/mol) 404.36
MDL Number MFCD00150149
SMILES O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2
IUPAC Name bis(7H-purin-6-amine) sulfuric acid dihydrate
InChI Key MKPCNMXYTMQZBE-UHFFFAOYSA-N
Molecular Formula C10H16N10O6S
9

Adenine Sulfate Dihydrate 98.0+%, TCI America™

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

PubChem CID 44134512
CAS 6509-19-9
Molecular Weight (g/mol) 404.36
MDL Number MFCD00150149
SMILES O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2
IUPAC Name bis(7H-purin-6-amine) sulfuric acid dihydrate
InChI Key MKPCNMXYTMQZBE-UHFFFAOYSA-N
Molecular Formula C10H16N10O6S
10

CGS 21680 hydrochloride, 99%

CAS: 120225-54-9 Molecular Formula: C23H30ClN7O6 Molecular Weight (g/mol): 535.986 MDL Number: MFCD11045878 InChI Key: QPHVMNOEKKJYJO-XWOZMEDYSA-N Synonym: cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate PubChem CID: 133639586 IUPAC Name: 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl

PubChem CID 133639586
CAS 120225-54-9
Molecular Weight (g/mol) 535.986
MDL Number MFCD11045878
SMILES CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl
Synonym cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate
IUPAC Name 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride
InChI Key QPHVMNOEKKJYJO-XWOZMEDYSA-N
Molecular Formula C23H30ClN7O6
11

Tenofovir disoproxil fumarate, 98%, Thermo Scientific Chemicals

CAS: 202138-50-9 Molecular Formula: C19H30N5O10P·C4H4O4 Molecular Weight (g/mol): 635.51 InChI Key: VCMJCVGFSROFHV-WZGZYPNHSA-N Synonym: tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1 PubChem CID: 6398764 ChEBI: CHEBI:63718 IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O

PubChem CID 6398764
CAS 202138-50-9
Molecular Weight (g/mol) 635.51
ChEBI CHEBI:63718
SMILES CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O
Synonym tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1
IUPAC Name [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
InChI Key VCMJCVGFSROFHV-WZGZYPNHSA-N
Molecular Formula C19H30N5O10P·C4H4O4