[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(imidazol-1-ylcarbonyloxymethyl)butyl] imidazole-1-carboxylate

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(imidazol-1-ylcarbonyloxymethyl)butyl] imidazole-1-carboxylate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(imidazole-1-carbonyloxymethyl)butyl] imidazole-1-carboxylate CAS Name: 1-imidazolecarboxylic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-[[1-imidazolyl(oxo)methoxy]methyl]butyl] ester IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(imidazole-1-carbonyloxymethyl)butyl] imidazole-1-carboxylate Traditional Name: imidazole-1-carboxylic acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(imidazole-1-carbonyloxymethyl)butyl] ester Formula: C18H19N9O5 MolecularWeight: 441.40076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C(=O)OCC(CCN2C=NC3=C2NC(=NC3=O)N)COC(=O)N4C=CN=C4

Isomeric SMILES

C1=CN(C=N1)C(=O)OCC(CCN2C=NC3=C2NC(=NC3=O)N)COC(=O)N4C=CN=C4

InChI

InChI=1S/C18H19N9O5/c19-16-23-14-13(15(28)24-16)22-11-25(14)4-1-12(7-31-17(29)26-5-2-20-9-26)8-32-18(30)27-6-3-21-10-27/h2-3,5-6,9-12H,1,4,7-8H2,(H3,19,23,24,28)