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

Systemtic Name: 5-[2-oxidanylidene-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-oxo-1-phenyl-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-oxo-1-phenyl-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-keto-1-phenyl-2-[4-(2-pyridyl)piperazino]ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C(=O)NN5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C(=O)NN5

InChI

InChI=1S/C22H21N7O2S/c30-20-17-19(25-26-20)24-14-29(22(17)32)18(15-6-2-1-3-7-15)21(31)28-12-10-27(11-13-28)16-8-4-5-9-23-16/h1-9,14,18H,10-13H2,(H2,25,26,30)