1-(4-methylphenyl)-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-methylphenyl)-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H24N6O2S MolecularWeight: 460.55136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

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