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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)NC4CCCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)NC4CCCCC4)Cl

InChI

InChI=1S/C24H29ClFN5O2S/c1-16-14-30(11-12-31(16)23(33)18-9-5-6-10-19(18)26)21-13-20(25)28-24(29-21)34-15-22(32)27-17-7-3-2-4-8-17/h5-6,9-10,13,16-17H,2-4,7-8,11-12,14-15H2,1H3,(H,27,32)