ethyl 5-[(4-chloranylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-chloranylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-chloropyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[[(4-chloro-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloropyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[(4-chloropyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C12H13ClN6O5S MolecularWeight: 388.78682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN6O5S/c1-3-24-10(20)7-6-15-19(2)9(7)25(22,23)18-12(21)17-11-14-5-4-8(13)16-11/h4-6H,3H2,1-2H3,(H2,14,16,17,18,21)