[[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] benzoate

Systemtic Name: [[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] benzoate Openeye Name: [(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] benzoate CAS Name: benzoic acid [[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]-phenylmethyl] ester IUPAC Name: [[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]-phenylmethyl] benzoate Traditional Name: benzoic acid [(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)-phenyl-methyl] ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4/c1-16(2)14-27-20-19(21(29)26(3)24(27)31)28(15-25-20)22(17-10-6-4-7-11-17)32-23(30)18-12-8-5-9-13-18/h4-13,15-16,22H,14H2,1-3H3