4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl]benzoic acid Openeye Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoic acid CAS Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethyl]benzoic acid Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C15H13N5O3/c16-15-19-12-11(13(21)20-15)18-10(7-17-12)6-3-8-1-4-9(5-2-8)14(22)23/h1-2,4-5,7H,3,6H2,(H,22,23)(H3,16,17,19,20,21)