3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide Openeye Name: N-[4-(isopropylsulfamoyl)phenyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide Traditional Name: N-[4-(isopropylsulfamoyl)phenyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H22N6O4S/c1-12(2)22-29(27,28)14-6-4-13(5-7-14)21-16(25)8-9-24-11-19-17-15(18(24)26)10-20-23(17)3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,25)