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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methanoyl-amino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formyl-amino]benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formylamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-formyl-amino]benzoic acid Formula: C15H12N6O4 MolecularWeight: 340.29358

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O4/c16-15-19-12-11(13(23)20-15)18-9(5-17-12)6-21(7-22)10-3-1-8(2-4-10)14(24)25/h1-5,7H,6H2,(H,24,25)(H3,16,17,19,20,23)