[4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-pyridin-3-yl] methanesulfonate

Systemtic Name: [4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-pyridin-3-yl] methanesulfonate Openeye Name: [4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-3-pyridyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]-2-sulfamoyl-3-pyridinyl] ester IUPAC Name: [4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoylpyridin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-3-pyridyl] ester Formula: C13H15N5O8S2 MolecularWeight: 433.4169

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)OS(=O)(=O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O8S2/c1-24-8-6-9(25-2)17-13(16-8)18-11(19)7-4-5-15-12(28(14,22)23)10(7)26-27(3,20)21/h4-6H,1-3H3,(H2,14,22,23)(H,16,17,18,19)