4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoate

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoate Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoate CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoate IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoate Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoate Formula: C14H11N6O3- MolecularWeight: 311.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)/p-1