1-(4-butyl-4-oxidanyl-piperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone

Systemtic Name: 1-(4-butyl-4-oxidanyl-piperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-(4-butyl-4-hydroxy-1-piperidyl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-(4-butyl-4-hydroxy-1-piperidinyl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-(4-butyl-4-hydroxypiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-(4-butyl-4-hydroxy-piperidino)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4)O

Isomeric SMILES

CCCCC1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4)O

InChI

InChI=1S/C22H27N5O2S/c1-2-3-9-22(29)10-12-26(13-11-22)20(28)18(16-7-5-4-6-8-16)27-15-23-19-17(21(27)30)14-24-25-19/h4-8,14-15,18,29H,2-3,9-13H2,1H3,(H,24,25)