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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C24H24N6O2S MolecularWeight: 460.55136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

InChI

InChI=1S/C24H24N6O2S/c1-32-19-9-7-18(8-10-19)28-11-13-29(14-12-28)23(31)21(17-5-3-2-4-6-17)30-16-25-22-20(24(30)33)15-26-27-22/h2-10,15-16,21H,11-14H2,1H3,(H,26,27)