2-[1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-diphenyl-purin-7-yl]ethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-diphenyl-purin-7-yl]ethanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-4,5-diphenyl-purin-7-yl)acetic acid CAS Name: 2-(1,3-dimethyl-2,6-dioxo-4,5-diphenyl-7-purinyl)acetic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-4,5-diphenylpurin-7-yl)acetic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-4,5-diphenyl-purin-7-yl)acetic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2(C(N=CN2CC(=O)O)(N(C1=O)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2(C(N=CN2CC(=O)O)(N(C1=O)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-23-18(28)20(15-9-5-3-6-10-15)21(24(2)19(23)29,16-11-7-4-8-12-16)22-14-25(20)13-17(26)27/h3-12,14H,13H2,1-2H3,(H,26,27)