4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-pyridine-3-carboxylic acid

Systemtic Name: 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-pyridine-3-carboxylic acid Openeye Name: 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-pyridine-3-carboxylic acid CAS Name: 4-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]-2-sulfamoyl-3-pyridinecarboxylic acid IUPAC Name: 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoylpyridine-3-carboxylic acid Traditional Name: 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-nicotinic acid Formula: C13H13N5O7S MolecularWeight: 383.33662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C2=C(C(=NC=C2)S(=O)(=O)N)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C2=C(C(=NC=C2)S(=O)(=O)N)C(=O)O)OC

InChI

InChI=1S/C13H13N5O7S/c1-24-7-5-8(25-2)17-13(16-7)18-10(19)6-3-4-15-11(26(14,22)23)9(6)12(20)21/h3-5H,1-2H3,(H,20,21)(H2,14,22,23)(H,16,17,18,19)