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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[3-(2-methyl-1-piperidyl)propyl]acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(2-methyl-1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-[3-(2-methylpiperidino)propyl]acetamide Formula: C27H43ClN6O2S MolecularWeight: 551.18732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4CCCCC4

Isomeric SMILES

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4CCCCC4

InChI

InChI=1S/C27H43ClN6O2S/c1-20-9-6-7-13-32(20)14-8-12-29-25(35)19-37-27-30-23(28)17-24(31-27)33-15-16-34(21(2)18-33)26(36)22-10-4-3-5-11-22/h17,20-22H,3-16,18-19H2,1-2H3,(H,29,35)