methyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-isoquinolin-1-yl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-isoquinolin-1-yl-3-methyl-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(1-isoquinolyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-(1-isoquinolinyl)-3-methyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-isoquinolin-1-yl-3-methylpyrazole-4-carboxylate Traditional Name: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(1-isoquinolyl)-3-methyl-pyrazole-4-carboxylic acid methyl ester Formula: C22H21N7O7S MolecularWeight: 527.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N7O7S/c1-12-17(20(30)36-4)19(29(27-12)18-14-8-6-5-7-13(14)9-10-23-18)37(32,33)28-22(31)26-21-24-15(34-2)11-16(25-21)35-3/h5-11H,1-4H3,(H2,24,25,26,28,31)