4-(4-oxidanylidene-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide

Systemtic Name: 4-(4-oxidanylidene-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Openeye Name: 4-(4-oxo-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide CAS Name: 4-[4-oxo-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-(4-oxo-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Traditional Name: 4-[4-keto-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C19H15N5O4S2 MolecularWeight: 441.4835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O4S2/c20-30(27,28)14-8-6-13(7-9-14)24-17-15(10-21-24)18(26)23-19(22-17)29-11-16(25)12-4-2-1-3-5-12/h1-10,21H,11H2,(H2,20,27,28)