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

Systemtic Name: methyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-isoquinolin-1-yl-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(1-isoquinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-(1-isoquinolinyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-isoquinolin-1-ylpyrazole-4-carboxylate Traditional Name: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(1-isoquinolyl)pyrazole-4-carboxylic acid methyl ester Formula: C21H19N7O7S MolecularWeight: 513.48326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=NN2C3=NC=CC4=CC=CC=C43)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=NN2C3=NC=CC4=CC=CC=C43)C(=O)OC)OC

InChI

InChI=1S/C21H19N7O7S/c1-33-15-10-16(34-2)25-20(24-15)26-21(30)27-36(31,32)18-14(19(29)35-3)11-23-28(18)17-13-7-5-4-6-12(13)8-9-22-17/h4-11H,1-3H3,(H2,24,25,26,27,30)