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

Systemtic Name: 3-[2,6-bis(oxidanylidene)-1-(phenylmethyl)-7H-purin-3-yl]benzoic acid Openeye Name: 3-(1-benzyl-2,6-dioxo-7H-purin-3-yl)benzoic acid CAS Name: 3-[2,6-dioxo-1-(phenylmethyl)-7H-purin-3-yl]benzoic acid IUPAC Name: 3-(1-benzyl-2,6-dioxo-7H-purin-3-yl)benzoic acid Traditional Name: 3-(1-benzyl-2,6-diketo-7H-purin-3-yl)benzoic acid Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H14N4O4/c24-17-15-16(21-11-20-15)23(14-8-4-7-13(9-14)18(25)26)19(27)22(17)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,20,21)(H,25,26)