methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-1-(6-fluoranylpyridin-2-yl)-5-sulfamoyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-1-(6-fluoranylpyridin-2-yl)-5-sulfamoyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-1-(6-fluoro-2-pyridyl)-5-sulfamoyl-pyrazole-4-carboxylate CAS Name: 3-[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]-1-(6-fluoro-2-pyridinyl)-5-sulfamoyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-1-(6-fluoropyridin-2-yl)-5-sulfamoylpyrazole-4-carboxylate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-1-(6-fluoro-2-pyridyl)-5-sulfamoyl-pyrazole-4-carboxylic acid methyl ester Formula: C17H16FN7O5S MolecularWeight: 449.416243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2=NN(C(=C2C(=O)OC)S(=O)(=O)N)C3=NC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C2=NN(C(=C2C(=O)OC)S(=O)(=O)N)C3=NC(=CC=C3)F)C

InChI

InChI=1S/C17H16FN7O5S/c1-8-7-9(2)21-17(20-8)23-14(26)13-12(16(27)30-3)15(31(19,28)29)25(24-13)11-6-4-5-10(18)22-11/h4-7H,1-3H3,(H2,19,28,29)(H,20,21,23,26)