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

Systemtic Name: 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 2-phenyl-1-[4-(2-pyridyl)piperazin-1-yl]-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 2-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 2-phenyl-1-[4-(2-pyridyl)piperazino]-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C22H21N7OS MolecularWeight: 431.51344

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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=NN5

Isomeric SMILES

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

InChI

InChI=1S/C22H21N7OS/c30-21(28-12-10-27(11-13-28)18-8-4-5-9-23-18)19(16-6-2-1-3-7-16)29-15-24-20-17(22(29)31)14-25-26-20/h1-9,14-15,19H,10-13H2,(H,25,26)