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

Systemtic Name: [[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] benzoate Openeye Name: [(1,3-dimethyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] benzoate CAS Name: benzoic acid [(1,3-dimethyl-2,6-dioxo-7-purinyl)-phenylmethyl] ester IUPAC Name: [(1,3-dimethyl-2,6-dioxopurin-7-yl)-phenylmethyl] benzoate Traditional Name: benzoic acid [(2,6-diketo-1,3-dimethyl-purin-7-yl)-phenyl-methyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/C21H18N4O4/c1-23-17-16(18(26)24(2)21(23)28)25(13-22-17)19(14-9-5-3-6-10-14)29-20(27)15-11-7-4-8-12-15/h3-13,19H,1-2H3