5-(2-methoxyphenyl)-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-methoxyphenyl)-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-methoxyphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-methoxyphenyl)-6-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-methoxyphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-5-(2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H24N6O3S MolecularWeight: 476.55076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O3S/c1-33-20-10-6-5-9-19(20)30-23(32)18-15-25-27-22(18)26-24(30)34-16-21(31)29-13-11-28(12-14-29)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,25,27)