3-(6-oxidanylidene-3H-purin-9-yl)benzoic acid

Systemtic Name: 3-(6-oxidanylidene-3H-purin-9-yl)benzoic acid Openeye Name: 3-(6-oxo-3H-purin-9-yl)benzoic acid CAS Name: 3-(6-oxo-3H-purin-9-yl)benzoic acid IUPAC Name: 3-(6-oxo-3H-purin-9-yl)benzoic acid Traditional Name: 3-(6-keto-3H-purin-9-yl)benzoic acid Formula: C12H8N4O3 MolecularWeight: 256.21692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NC3=C2NC=NC3=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NC3=C2NC=NC3=O)C(=O)O

InChI

InChI=1S/C12H8N4O3/c17-11-9-10(13-5-14-11)16(6-15-9)8-3-1-2-7(4-8)12(18)19/h1-6H,(H,18,19)(H,13,14,17)