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

Systemtic Name: 6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H26N6O3S/c1-17-5-3-4-6-21(17)31-24(33)20-15-26-28-23(20)27-25(31)35-16-22(32)30-13-11-29(12-14-30)18-7-9-19(34-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3,(H,26,28)