3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-imidazol-1-ylcarbonyloxy-methoxy]propyl imidazole-1-carboxylate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-imidazol-1-ylcarbonyloxy-methoxy]propyl imidazole-1-carboxylate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(imidazole-1-carbonyloxy)methoxy]propyl imidazole-1-carboxylate CAS Name: 1-imidazolecarboxylic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-[1-imidazolyl(oxo)methoxy]methoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(imidazole-1-carbonyloxy)methoxy]propyl imidazole-1-carboxylate Traditional Name: imidazole-1-carboxylic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(imidazole-1-carbonyloxy)methoxy]propyl ester Formula: C17H19N9O6 MolecularWeight: 445.38946

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(OCCCOC(=O)N3C=CN=C3)OC(=O)N4C=CN=C4)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(OCCCOC(=O)N3C=CN=C3)OC(=O)N4C=CN=C4)NC(=NC2=O)N

InChI

InChI=1S/C17H19N9O6/c18-14-22-12-11(13(27)23-14)21-10-26(12)17(32-16(29)25-5-3-20-9-25)31-7-1-6-30-15(28)24-4-2-19-8-24/h2-5,8-9,17,21H,1,6-7,10H2,(H3,18,22,23,27)