3-[(8-oxidanylidene-9-phenyl-7H-purin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(8-oxidanylidene-9-phenyl-7H-purin-2-yl)amino]benzoic acid Openeye Name: 3-[(8-oxo-9-phenyl-7H-purin-2-yl)amino]benzoic acid CAS Name: 3-[(8-oxo-9-phenyl-7H-purin-2-yl)amino]benzoic acid IUPAC Name: 3-[(8-oxo-9-phenyl-7H-purin-2-yl)amino]benzoic acid Traditional Name: 3-[(8-keto-9-phenyl-7H-purin-2-yl)amino]benzoic acid Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC=C3NC2=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC=C3NC2=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H13N5O3/c24-16(25)11-5-4-6-12(9-11)20-17-19-10-14-15(22-17)23(18(26)21-14)13-7-2-1-3-8-13/h1-10H,(H,21,26)(H,24,25)(H,19,20,22)