6-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methyl-ethanoyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methyl-ethanoyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(2-acetamido-4-keto-1H-pteridin-6-yl)methyl-acetyl-amino]nicotinic acid Formula: C17H15N7O5 MolecularWeight: 397.3449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N7O5/c1-8(25)20-17-22-14-13(15(27)23-17)21-11(6-19-14)7-24(9(2)26)12-4-3-10(5-18-12)16(28)29/h3-6H,7H2,1-2H3,(H,28,29)(H2,19,20,22,23,25,27)