6-azanyl-9-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Openeye Name: 6-amino-9-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one CAS Name: 6-amino-9-[[3-(1-imidazolylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one IUPAC Name: 6-amino-9-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Traditional Name: 6-amino-9-[3-(imidazol-1-ylmethyl)benzyl]-2-(2-methoxyethoxy)-7H-purin-8-one Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C19H21N7O3/c1-28-7-8-29-18-23-16(20)15-17(24-18)26(19(27)22-15)11-14-4-2-3-13(9-14)10-25-6-5-21-12-25/h2-6,9,12H,7-8,10-11H2,1H3,(H,22,27)(H2,20,23,24)