2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-1-[4-(o-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-1-[4-(2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-1-[4-(o-tolyl)piperazino]ethanone Formula: C24H31ClN6O2S MolecularWeight: 503.05994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C24H31ClN6O2S/c1-17-6-4-5-7-20(17)28-8-10-29(11-9-28)23(33)16-34-24-26-21(25)14-22(27-24)30-12-13-31(19(3)32)18(2)15-30/h4-7,14,18H,8-13,15-16H2,1-3H3