[3-methyl-2,6-bis(oxidanylidene)-7-(2-oxidanyl-2-phenyl-ethyl)purin-8-yl] benzoate

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-(2-oxidanyl-2-phenyl-ethyl)purin-8-yl] benzoate Openeye Name: [7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-2,6-dioxo-purin-8-yl] benzoate CAS Name: benzoic acid [7-(2-hydroxy-2-phenylethyl)-3-methyl-2,6-dioxo-8-purinyl] ester IUPAC Name: [7-(2-hydroxy-2-phenylethyl)-3-methyl-2,6-dioxopurin-8-yl] benzoate Traditional Name: benzoic acid [7-(2-hydroxy-2-phenyl-ethyl)-2,6-diketo-3-methyl-purin-8-yl] ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(C4=CC=CC=C4)O

InChI

InChI=1S/C21H18N4O5/c1-24-17-16(18(27)23-20(24)29)25(12-15(26)13-8-4-2-5-9-13)21(22-17)30-19(28)14-10-6-3-7-11-14/h2-11,15,26H,12H2,1H3,(H,23,27,29)