5-[2-oxidanylidene-2-(4-oxidanyl-4-phenyl-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-phenyl-piperidin-1-yl)-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-(4-hydroxy-4-phenyl-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-phenyl-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-(4-hydroxy-4-phenyl-piperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O3S/c30-21-18-20(26-27-21)25-15-29(23(18)33)19(16-7-3-1-4-8-16)22(31)28-13-11-24(32,12-14-28)17-9-5-2-6-10-17/h1-10,15,19,32H,11-14H2,(H2,26,27,30)