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

Systemtic Name: 4-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methyl-ethanoyl-amino]benzoic acid Openeye Name: 4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetyl-amino]benzoic acid CAS Name: 4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]benzoic acid IUPAC Name: 4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]benzoic acid Traditional Name: 4-[(2-acetamido-4-keto-1H-pteridin-6-yl)methyl-acetyl-amino]benzoic acid Formula: C18H16N6O5 MolecularWeight: 396.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O5/c1-9(25)20-18-22-15-14(16(27)23-18)21-12(7-19-15)8-24(10(2)26)13-5-3-11(4-6-13)17(28)29/h3-7H,8H2,1-2H3,(H,28,29)(H2,19,20,22,23,25,27)