2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-cinnamylpiperazin-1-yl)ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(3-phenylprop-2-enyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-(4-cinnamylpiperazino)ethanone Formula: C31H41ClN6O2S MolecularWeight: 597.21424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)CC=CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)CC=CC5=CC=CC=C5)Cl

InChI

InChI=1S/C31H41ClN6O2S/c1-24-22-37(19-20-38(24)30(40)26-12-6-3-7-13-26)28-21-27(32)33-31(34-28)41-23-29(39)36-17-15-35(16-18-36)14-8-11-25-9-4-2-5-10-25/h2,4-5,8-11,21,24,26H,3,6-7,12-20,22-23H2,1H3