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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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Keyword Search:
1 – 15 of 63 results
1

3-Methylxanthine, 99.43%, For HPLC analysis, MP Biomedicals™

CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

PubChem CID 70639
CAS 1076-22-8
Molecular Weight (g/mol) 166.14
ChEBI CHEBI:62207
SMILES CN1C2=C(C(=O)NC1=O)NC=N2
Synonym 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817
IUPAC Name 3-methyl-7H-purine-2,6-dione
InChI Key GMSNIKWWOQHZGF-UHFFFAOYSA-N
Molecular Formula C6H6N4O2
2

Adenine Sulfate Dihydrate 98.0+%, TCI America™
SDP

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
3

Theobromine 98.0+%, TCI America™
SDP

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

PubChem CID 5429
CAS 83-67-0
Molecular Weight (g/mol) 180.167
ChEBI CHEBI:28946
MDL Number MFCD00022830
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Synonym theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
IUPAC Name 3,7-dimethylpurine-2,6-dione
InChI Key YAPQBXQYLJRXSA-UHFFFAOYSA-N
Molecular Formula C7H8N4O2
4

Adenine 99.0+%, TCI America™
SDP

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

Xanthosine Dihydrate 98.0+%, TCI America™
SDP

CAS: 146-80-5 Molecular Formula: C10H12N4O6 Molecular Weight (g/mol): 284.228 MDL Number: MFCD00005726 InChI Key: UBORTCNDUKBEOP-UUOKFMHZSA-N PubChem CID: 64959 ChEBI: CHEBI:18107 IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O

PubChem CID 64959
CAS 146-80-5
Molecular Weight (g/mol) 284.228
ChEBI CHEBI:18107
MDL Number MFCD00005726
SMILES C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O
IUPAC Name 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
InChI Key UBORTCNDUKBEOP-UUOKFMHZSA-N
Molecular Formula C10H12N4O6
6

Xanthine 98.0+%, TCI America™
SDP

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.113
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
7

6-Thioguanine 95.0+%, TCI America™
SDP

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 IUPAC Name: 2-amino-6,7-dihydro-3H-purine-6-thione SMILES: NC1=NC(=S)C2=C(N1)N=CN2

PubChem CID 2723601
CAS 154-42-7
Molecular Weight (g/mol) 167.19
ChEBI CHEBI:9555
MDL Number MFCD00233553
SMILES NC1=NC(=S)C2=C(N1)N=CN2
Synonym 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol
IUPAC Name 2-amino-6,7-dihydro-3H-purine-6-thione
InChI Key WYWHKKSPHMUBEB-UHFFFAOYSA-N
Molecular Formula C5H5N5S
8

7-(2,3-Dihydroxypropyl)theophylline 98.0+%, TCI America™
SDP

9

Arprinocid 95.0+%, TCI America™
SDP

CAS: 55779-18-5 Molecular Formula: C12H9ClFN5 Molecular Weight (g/mol): 277.69 MDL Number: MFCD00867210 InChI Key: NAPNOSFRRMHNBJ-UHFFFAOYSA-N Synonym: 9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox PubChem CID: 41574 IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine SMILES: NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1

PubChem CID 41574
CAS 55779-18-5
Molecular Weight (g/mol) 277.69
MDL Number MFCD00867210
SMILES NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1
Synonym 9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox
IUPAC Name 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine
InChI Key NAPNOSFRRMHNBJ-UHFFFAOYSA-N
Molecular Formula C12H9ClFN5
10

Isoguanine 98.0+%, TCI America™
SDP

CAS: 3373-53-3 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00142931 InChI Key: DRAVOWXCEBXPTN-UHFFFAOYSA-N Synonym: isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol PubChem CID: 76900 ChEBI: CHEBI:62462 IUPAC Name: 6-amino-2,7-dihydro-1H-purin-2-one SMILES: NC1=C2NC=NC2=NC(=O)N1

PubChem CID 76900
CAS 3373-53-3
Molecular Weight (g/mol) 151.13
ChEBI CHEBI:62462
MDL Number MFCD00142931
SMILES NC1=C2NC=NC2=NC(=O)N1
Synonym isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol
IUPAC Name 6-amino-2,7-dihydro-1H-purin-2-one
InChI Key DRAVOWXCEBXPTN-UHFFFAOYSA-N
Molecular Formula C5H5N5O
11

2-Thioxanthine 80.0+%, TCI America™
SDP

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
12

8-Oxoadenosine 98.0+%, TCI America™
SDP

CAS: 29851-57-8 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.244 MDL Number: MFCD15145291 InChI Key: UEHOMUNTZPIBIL-DTUHVUQASA-N Synonym: 7,8-Dihydro-8-oxoadenosine, 8-Hydroxyadenosine PubChem CID: 91972088 IUPAC Name: 6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one SMILES: C1=NC2=C(C(=N1)N)NC(=O)N2C3C(C(C(O3)CO)O)O

PubChem CID 91972088
CAS 29851-57-8
Molecular Weight (g/mol) 283.244
MDL Number MFCD15145291
SMILES C1=NC2=C(C(=N1)N)NC(=O)N2C3C(C(C(O3)CO)O)O
Synonym 7,8-Dihydro-8-oxoadenosine, 8-Hydroxyadenosine
IUPAC Name 6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one
InChI Key UEHOMUNTZPIBIL-DTUHVUQASA-N
Molecular Formula C10H13N5O5
13

Caffeine 98.0+%, TCI America™
SDP

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
14

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

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
15

Doxofylline 98.0+%, TCI America™
SDP

CAS: 69975-86-6 Molecular Formula: C11H14N4O4 Molecular Weight (g/mol): 266.257 MDL Number: MFCD00865218 InChI Key: HWXIGFIVGWUZAO-UHFFFAOYSA-N Synonym: doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin PubChem CID: 50942 IUPAC Name: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3

PubChem CID 50942
CAS 69975-86-6
Molecular Weight (g/mol) 266.257
MDL Number MFCD00865218
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
Synonym doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin
IUPAC Name 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
InChI Key HWXIGFIVGWUZAO-UHFFFAOYSA-N
Molecular Formula C11H14N4O4