methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(trifluoromethyl)pyrimidin-1-ium-1-carboxylate

Systemtic Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(trifluoromethyl)pyrimidin-1-ium-1-carboxylate Openeye Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(trifluoromethyl)pyrimidin-1-ium-1-carboxylate CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-(trifluoromethyl)-1-pyrimidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(trifluoromethyl)pyrimidin-1-ium-1-carboxylate Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(trifluoromethyl)pyrimidin-1-ium-1-carboxylic acid methyl ester Formula: C14H14F3N6O7S+ MolecularWeight: 467.35717

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=[N+](C=CC(=N2)C(F)(F)F)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=[N+](C=CC(=N2)C(F)(F)F)C(=O)OC)OC

InChI

InChI=1S/C14H13F3N6O7S/c1-28-8-6-9(29-2)20-10(19-8)21-11(24)22-31(26,27)12-18-7(14(15,16)17)4-5-23(12)13(25)30-3/h4-6H,1-3H3,(H-,19,20,21,22,24)/p+1