ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]sulfamoyl]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[(4,6-dimethoxypyrimidin-2-yl)thiocarbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H18N6O6S2 MolecularWeight: 430.45932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=S)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=S)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C14H18N6O6S2/c1-5-26-12(21)8-7-15-20(2)11(8)28(22,23)19-14(27)18-13-16-9(24-3)6-10(17-13)25-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,27)