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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

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
2

O-[4-(Aminomethyl)benzyl]guanine, TRC

CAS: 674799-96-3 Molecular Formula: C13 H14 N6 O Molecular Weight (g/mol): 270.29 Synonym: 9H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]-,1H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]- (9CI),6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine,O-[4-(Aminomethyl)benzyl]guanine IUPAC Name: 6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine SMILES: NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1

CAS 674799-96-3
Molecular Weight (g/mol) 270.29
SMILES NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1
Synonym 9H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]-,1H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]- (9CI),6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine,O-[4-(Aminomethyl)benzyl]guanine
IUPAC Name 6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine
Molecular Formula C13 H14 N6 O
3

1,3-Dipropyl-8-phenylxanthine, Thermo Scientific™

CAS: 85872-53-3 Molecular Formula: C17H20N4O2 Molecular Weight (g/mol): 312.373 MDL Number: MFCD00209811 InChI Key: CLIGSMOZKDCDRZ-UHFFFAOYSA-N Synonym: 1,3-dipropyl-8-phenylxanthine,3,7-dihydro-1,3-dipropyl-8-phenyl-1h-purine-2,6,dione,8-phenyl-1,3-dipropyl-9h-purine-2,6-dione,8-phenyl-1,3-dipropyl-1h-purine-2,6 3h,7h-dione,1h-purine-2,6,dione, 3,7-dihydro-1,3-dipropyl-8-phenyl,1h-purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl,tocris-0486,8-phenyl-1,3-dipropyl-3,9-dihydro-1h-purine-2,6-dione,8-phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione PubChem CID: 128784 IUPAC Name: 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=CC=C3

PubChem CID 128784
CAS 85872-53-3
Molecular Weight (g/mol) 312.373
MDL Number MFCD00209811
SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=CC=C3
Synonym 1,3-dipropyl-8-phenylxanthine,3,7-dihydro-1,3-dipropyl-8-phenyl-1h-purine-2,6,dione,8-phenyl-1,3-dipropyl-9h-purine-2,6-dione,8-phenyl-1,3-dipropyl-1h-purine-2,6 3h,7h-dione,1h-purine-2,6,dione, 3,7-dihydro-1,3-dipropyl-8-phenyl,1h-purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl,tocris-0486,8-phenyl-1,3-dipropyl-3,9-dihydro-1h-purine-2,6-dione,8-phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione
IUPAC Name 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
InChI Key CLIGSMOZKDCDRZ-UHFFFAOYSA-N
Molecular Formula C17H20N4O2
4

TCS 5861528, Tocris Bioscience™

CAS: 332117-28-9 Molecular Formula: C19H23N5O3 Molecular Weight (g/mol): 369.425 InChI Key: ZUTUWJYMCADJHD-UHFFFAOYSA-N Synonym: chembridge-5861528,n-4-butan-2-ylphenyl-2-1,3-dimethyl-2,6-dioxopurin-7-yl acetamide,2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-sec-butyl phenyl acetamide,d0j0bv,n-4-2r-butan-2-yl phenyl-2-1,3-dimethyl-2,6-dioxopurin-7-yl acetamide,n-4-sec-butylphenyl-2-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7 6h-yl acetamide,2-1,3-dimethyl-2,6-dioxo 1,3,7-trihydropurin-7-yl-n-4-methylpropyl phenyl acetamide,2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-1-methylpropyl phenyl acetamide,n-4-butan-2-yl phenyl-2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl acetamide,n-4-butan-2-yl phenyl-2-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-7-yl acetamide PubChem CID: 2873523 IUPAC Name: N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide SMILES: CCC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

PubChem CID 2873523
CAS 332117-28-9
Molecular Weight (g/mol) 369.425
SMILES CCC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
Synonym chembridge-5861528,n-4-butan-2-ylphenyl-2-1,3-dimethyl-2,6-dioxopurin-7-yl acetamide,2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-sec-butyl phenyl acetamide,d0j0bv,n-4-2r-butan-2-yl phenyl-2-1,3-dimethyl-2,6-dioxopurin-7-yl acetamide,n-4-sec-butylphenyl-2-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7 6h-yl acetamide,2-1,3-dimethyl-2,6-dioxo 1,3,7-trihydropurin-7-yl-n-4-methylpropyl phenyl acetamide,2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-1-methylpropyl phenyl acetamide,n-4-butan-2-yl phenyl-2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl acetamide,n-4-butan-2-yl phenyl-2-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-7-yl acetamide
IUPAC Name N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
InChI Key ZUTUWJYMCADJHD-UHFFFAOYSA-N
Molecular Formula C19H23N5O3