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

Systemtic Name: 1-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-[4-hydroxy-4-(2-pyridyl)piperidino]-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=N2)O)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=N2)O)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

InChI

InChI=1S/C23H22N6O2S/c30-21(28-12-9-23(31,10-13-28)18-8-4-5-11-24-18)19(16-6-2-1-3-7-16)29-15-25-20-17(22(29)32)14-26-27-20/h1-8,11,14-15,19,31H,9-10,12-13H2,(H,26,27)