1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-phenyl-2-(phenylthio)ethanone Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C24H24N6OS/c1-28-22-20(16-27-28)23(26-17-25-22)29-12-14-30(15-13-29)24(31)21(18-8-4-2-5-9-18)32-19-10-6-3-7-11-19/h2-11,16-17,21H,12-15H2,1H3