3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H22N6O4S/c23-33(31,32)18-8-6-16(7-9-18)10-12-24-20(29)11-13-27-15-25-21-19(22(27)30)14-26-28(21)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,29)(H2,23,31,32)