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

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(phenylthio)ethanone Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C18H20N6OS/c1-22-17-15(11-21-22)18(20-13-19-17)24-9-7-23(8-10-24)16(25)12-26-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3