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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]ethanone Formula: C24H35ClN6O3S MolecularWeight: 523.0911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35ClN6O3S/c1-17-15-30(12-13-31(17)23(34)19-6-4-3-5-7-19)21-14-20(25)26-24(27-21)35-16-22(33)29-10-8-28(9-11-29)18(2)32/h14,17,19H,3-13,15-16H2,1-2H3