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

Systemtic Name: 2-[4-chloranyl-6-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[(2-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C24H31ClFN5O2S MolecularWeight: 508.051643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H31ClFN5O2S/c1-3-4-5-8-11-27-22(32)16-34-24-28-20(25)14-21(29-24)30-12-13-31(17(2)15-30)23(33)18-9-6-7-10-19(18)26/h6-7,9-10,14,17H,3-5,8,11-13,15-16H2,1-2H3,(H,27,32)