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

Systemtic Name: 4-[6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[6-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-keto-6-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C19H22N6O4S2 MolecularWeight: 462.54578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H22N6O4S2/c1-12-6-8-24(9-7-12)16(26)11-30-19-22-17-15(18(27)23-19)10-21-25(17)13-2-4-14(5-3-13)31(20,28)29/h2-5,10,12,21H,6-9,11H2,1H3,(H2,20,28,29)