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

Systemtic Name: methyl 3-[2,6-bis(oxidanylidene)-1-(phenylmethyl)-7H-purin-3-yl]benzoate Openeye Name: methyl 3-(1-benzyl-2,6-dioxo-7H-purin-3-yl)benzoate CAS Name: 3-[2,6-dioxo-1-(phenylmethyl)-7H-purin-3-yl]benzoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-2,6-dioxo-7H-purin-3-yl)benzoate Traditional Name: 3-(1-benzyl-2,6-diketo-7H-purin-3-yl)benzoic acid methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C20H16N4O4/c1-28-19(26)14-8-5-9-15(10-14)24-17-16(21-12-22-17)18(25)23(20(24)27)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22)