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

Systemtic Name: 2-[4-chloranyl-6-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[(2-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-pentylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C23H29ClFN5O2S MolecularWeight: 494.025063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClFN5O2S/c1-3-4-7-10-26-21(31)15-33-23-27-19(24)13-20(28-23)29-11-12-30(16(2)14-29)22(32)17-8-5-6-9-18(17)25/h5-6,8-9,13,16H,3-4,7,10-12,14-15H2,1-2H3,(H,26,31)