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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-carboxy-amino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-carboxy-amino]benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-carboxyamino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-carboxyamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-carboxy-amino]benzoic acid Formula: C15H12N6O5 MolecularWeight: 356.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C15H12N6O5/c16-14-19-11-10(12(22)20-14)18-8(5-17-11)6-21(15(25)26)9-3-1-7(2-4-9)13(23)24/h1-5H,6H2,(H,23,24)(H,25,26)(H3,16,17,19,20,22)