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

Systemtic Name: 4-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoic acid Openeye Name: 4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid CAS Name: 4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid IUPAC Name: 4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(2-acetamido-4-keto-1H-pteridin-6-yl)methylamino]benzoic acid Formula: C16H14N6O4 MolecularWeight: 360.276089

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CN[13C]3=[13CH][13CH]=[13C]([13CH]=[13CH]3)C(=O)O

InChI

InChI=1S/C16H14N6O4/c1-8(23)19-16-21-13-12(14(24)22-16)20-11(7-18-13)6-17-10-4-2-9(3-5-10)15(25)26/h2-5,7,17H,6H2,1H3,(H,25,26)(H2,18,19,21,22,23,24)/i2+1,3+1,4+1,5+1,9+1,10+1