(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl 1-ethylpyrrole-3-carboxylate

Systemtic Name: (4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl 1-ethylpyrrole-3-carboxylate Openeye Name: (4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl 1-ethylpyrrole-3-carboxylate CAS Name: 1-ethyl-3-pyrrolecarboxylic acid [[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl ester IUPAC Name: (4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl 1-ethylpyrrole-3-carboxylate Traditional Name: 1-ethylpyrrole-3-carboxylic acid (4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl ester Formula: C13H14ClN5O6S MolecularWeight: 403.79816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C1)C(=O)OS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC

Isomeric SMILES

CCN1C=CC(=C1)C(=O)OS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC

InChI

InChI=1S/C13H14ClN5O6S/c1-3-19-5-4-8(7-19)11(20)25-26(22,23)18-13(21)17-12-15-9(14)6-10(16-12)24-2/h4-7H,3H2,1-2H3,(H2,15,16,17,18,21)