aminocarbonyl-(4,6-dimethoxypyrimidin-2-yl)-sulfonyl-azanium; methyl 3-chloranyl-1-methyl-pyrazole-4-carboxylate

Systemtic Name: aminocarbonyl-(4,6-dimethoxypyrimidin-2-yl)-sulfonyl-azanium; methyl 3-chloranyl-1-methyl-pyrazole-4-carboxylate Openeye Name: carbamoyl-(4,6-dimethoxypyrimidin-2-yl)-sulfonyl-ammonium; methyl 3-chloro-1-methyl-pyrazole-4-carboxylate CAS Name: carbamoyl-(4,6-dimethoxy-2-pyrimidinyl)-sulfonylammonium; 3-chloro-1-methyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: carbamoyl-(4,6-dimethoxypyrimidin-2-yl)-sulfonylazanium; methyl 3-chloro-1-methylpyrazole-4-carboxylate Traditional Name: carbamoyl-(4,6-dimethoxypyrimidin-2-yl)-sulfonyl-ammonium; 3-chloro-1-methyl-pyrazole-4-carboxylic acid methyl ester Formula: C13H16ClN6O7S+ MolecularWeight: 435.82014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)Cl)C(=O)OC.COC1=CC(=NC(=N1)[N+](=S(=O)=O)C(=O)N)OC

Isomeric SMILES

CN1C=C(C(=N1)Cl)C(=O)OC.COC1=CC(=NC(=N1)[N+](=S(=O)=O)C(=O)N)OC

InChI

InChI=1S/C7H8N4O5S.C6H7ClN2O2/c1-15-4-3-5(16-2)10-7(9-4)11(6(8)12)17(13)14;1-9-3-4(5(7)8-9)6(10)11-2/h3H,1-2H3,(H-,8,12);3H,1-2H3/p+1