(1-cyclobutyl-6-oxidanylidene-7H-purin-2-yl)methyl benzoate

Systemtic Name: (1-cyclobutyl-6-oxidanylidene-7H-purin-2-yl)methyl benzoate Openeye Name: (1-cyclobutyl-6-oxo-7H-purin-2-yl)methyl benzoate CAS Name: benzoic acid (1-cyclobutyl-6-oxo-7H-purin-2-yl)methyl ester IUPAC Name: (1-cyclobutyl-6-oxo-7H-purin-2-yl)methyl benzoate Traditional Name: benzoic acid (1-cyclobutyl-6-keto-7H-purin-2-yl)methyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C(=NC3=C(C2=O)NC=N3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(C1)N2C(=NC3=C(C2=O)NC=N3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H16N4O3/c22-16-14-15(19-10-18-14)20-13(21(16)12-7-4-8-12)9-24-17(23)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,18,19)