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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-ethanoyl-benzoic acid Openeye Name: 2-acetyl-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid CAS Name: 2-acetyl-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid IUPAC Name: 2-acetyl-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid Traditional Name: 2-acetyl-4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoic acid Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C16H14N6O4/c1-7(23)11-4-8(2-3-10(11)15(25)26)18-5-9-6-19-13-12(20-9)14(24)22-16(17)21-13/h2-4,6,18H,5H2,1H3,(H,25,26)(H3,17,19,21,22,24)