ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-isoquinolin-1-yl-sulfamoyl]-1H-pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N(C2=NC=CC3=CC=CC=C32)C(=O)NC4=NC(=CC(=N4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N(C2=NC=CC3=CC=CC=C32)C(=O)NC4=NC(=CC(=N4)OC)OC

InChI

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