5-[2-oxidanylidene-2-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 5-[2-oxidanylidene-2-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-[4-hydroxy-4-(2-pyridyl)piperidino]-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C23H22N6O3S MolecularWeight: 462.52418

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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(=O)NN5

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O3S/c30-20-17-19(26-27-20)25-14-29(22(17)33)18(15-6-2-1-3-7-15)21(31)28-12-9-23(32,10-13-28)16-8-4-5-11-24-16/h1-8,11,14,18,32H,9-10,12-13H2,(H2,26,27,30)