methyl 2-(aminocarbonylsulfamoyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1-ethyl-2,5-dimethyl-3H-pyrazol-2-ium-4-carboxylate

Systemtic Name: methyl 2-(aminocarbonylsulfamoyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1-ethyl-2,5-dimethyl-3H-pyrazol-2-ium-4-carboxylate Openeye Name: methyl 2-(carbamoylsulfamoyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1-ethyl-2,5-dimethyl-3H-pyrazol-2-ium-4-carboxylate CAS Name: 2-(carbamoylsulfamoyl)-3-(4,6-dimethoxy-2-pyrimidinyl)-1-ethyl-2,5-dimethyl-3H-pyrazol-2-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(carbamoylsulfamoyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1-ethyl-2,5-dimethyl-3H-pyrazol-2-ium-4-carboxylate Traditional Name: 1-(carbamoylsulfamoyl)-5-(4,6-dimethoxypyrimidin-2-yl)-2-ethyl-1,3-dimethyl-3-pyrazolin-1-ium-4-carboxylic acid methyl ester Formula: C16H25N6O7S+ MolecularWeight: 445.4707

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C([N+]1(C)S(=O)(=O)NC(=O)N)C2=NC(=CC(=N2)OC)OC)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C([N+]1(C)S(=O)(=O)NC(=O)N)C2=NC(=CC(=N2)OC)OC)C(=O)OC)C

InChI

InChI=1S/C16H24N6O7S/c1-7-21-9(2)12(15(23)29-6)13(22(21,3)30(25,26)20-16(17)24)14-18-10(27-4)8-11(19-14)28-5/h8,13H,7H2,1-6H3,(H2-,17,20,24)/p+1