4-[[3-(2-methylphenyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-(2-methylphenyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-(o-tolyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid CAS Name: 4-[[3-(2-methylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[3-(2-methylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid Traditional Name: 4-[[2,6-diketo-3-(o-tolyl)-7H-purin-1-yl]methyl]benzoic acid Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)O)NC=N3

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)O)NC=N3

InChI

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