[4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-2-(hydroxymethyl)butyl] benzoate

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-2-(hydroxymethyl)butyl] benzoate Openeye Name: [4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-2-(hydroxymethyl)butyl] benzoate CAS Name: benzoic acid [4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-2-(hydroxymethyl)butyl] benzoate Traditional Name: benzoic acid [4-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-2-methylol-butyl] ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCC(CO)COC(=O)C3=CC=CC=C3)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CCC(CO)COC(=O)C3=CC=CC=C3)NC(=NC2=O)N

InChI

InChI=1S/C17H21N5O4/c18-17-20-14-13(15(24)21-17)19-10-22(14)7-6-11(8-23)9-26-16(25)12-4-2-1-3-5-12/h1-5,11,19,23H,6-10H2,(H3,18,20,21,24)