1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(m-tolyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(m-tolyl)piperazino]-2-(2-pyrimidylthio)ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H20N4OS/c1-14-4-2-5-15(12-14)20-8-10-21(11-9-20)16(22)13-23-17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3