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

Systemtic Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-isoquinolin-1-yl-3-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N7O7S MolecularWeight: 541.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=NC=CC3=CC=CC=C32)S(=O)(=O)NC(=O)NC4=NC(=CC(=N4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=NC=CC3=CC=CC=C32)S(=O)(=O)NC(=O)NC4=NC(=CC(=N4)OC)OC

InChI

InChI=1S/C23H23N7O7S/c1-5-37-21(31)18-13(2)28-30(19-15-9-7-6-8-14(15)10-11-24-19)20(18)38(33,34)29-23(32)27-22-25-16(35-3)12-17(26-22)36-4/h6-12H,5H2,1-4H3,(H2,25,26,27,29,32)