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

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethylamino]benzoic acid Openeye Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoic acid CAS Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoic acid IUPAC Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoic acid Traditional Name: 4-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethylamino]benzoic acid Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C15H14N6O3/c16-15-20-12-11(13(22)21-15)19-10(7-18-12)5-6-17-9-3-1-8(2-4-9)14(23)24/h1-4,7,17H,5-6H2,(H,23,24)(H3,16,18,20,21,22)