2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C28H38ClN5O2S MolecularWeight: 544.15162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC(C)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC(C)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H38ClN5O2S/c1-20(13-14-22-9-5-3-6-10-22)30-26(35)19-37-28-31-24(29)17-25(32-28)33-15-16-34(21(2)18-33)27(36)23-11-7-4-8-12-23/h3,5-6,9-10,17,20-21,23H,4,7-8,11-16,18-19H2,1-2H3,(H,30,35)