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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C24H29ClFN5O2S MolecularWeight: 506.035763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C24H29ClFN5O2S/c1-16-14-30(11-12-31(16)23(33)17-5-3-2-4-6-17)21-13-20(25)28-24(29-21)34-15-22(32)27-19-9-7-18(26)8-10-19/h7-10,13,16-17H,2-6,11-12,14-15H2,1H3,(H,27,32)