4-(4-oxidanylidene-1H-pteridin-7-yl)benzoic acid

Systemtic Name: 4-(4-oxidanylidene-1H-pteridin-7-yl)benzoic acid Openeye Name: 4-(4-oxo-1H-pteridin-7-yl)benzoic acid CAS Name: 4-(4-oxo-1H-pteridin-7-yl)benzoic acid IUPAC Name: 4-(4-oxo-1H-pteridin-7-yl)benzoic acid Traditional Name: 4-(4-keto-1H-pteridin-7-yl)benzoic acid Formula: C13H8N4O3 MolecularWeight: 268.22762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C3C(=N2)NC=NC3=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C3C(=N2)NC=NC3=O)C(=O)O

InChI

InChI=1S/C13H8N4O3/c18-12-10-11(15-6-16-12)17-9(5-14-10)7-1-3-8(4-2-7)13(19)20/h1-6H,(H,19,20)(H,15,16,17,18)