2-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-keto-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-acetamide Formula: C19H16N6O4S2 MolecularWeight: 456.49814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H16N6O4S2/c20-31(28,29)14-8-6-13(7-9-14)25-17-15(10-21-25)18(27)24-19(23-17)30-11-16(26)22-12-4-2-1-3-5-12/h1-10,21H,11H2,(H,22,26)(H2,20,28,29)