2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-[3-(trifluoromethyl)benzyl]acetamide Formula: C23H27ClF3N5O2S MolecularWeight: 530.00599

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC(=CC=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC(=CC=C3)C(F)(F)F)Cl

InChI

InChI=1S/C23H27ClF3N5O2S/c1-3-5-21(34)32-9-8-31(13-15(32)2)19-11-18(24)29-22(30-19)35-14-20(33)28-12-16-6-4-7-17(10-16)23(25,26)27/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3,(H,28,33)