1-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(phenylthio)ethanone Formula: C28H32N6OS MolecularWeight: 500.65828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N6OS/c1-20(2)18-24-29-27(26-21(3)31-34(28(26)30-24)22-10-6-4-7-11-22)33-16-14-32(15-17-33)25(35)19-36-23-12-8-5-9-13-23/h4-13,20H,14-19H2,1-3H3