2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]hexanamide

Systemtic Name: 2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]hexanamide Openeye Name: 2-(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]hexanamide CAS Name: 2-[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]-N-[[3-(trifluoromethyl)phenyl]methyl]hexanamide IUPAC Name: 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]hexanamide Traditional Name: 2-[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)benzyl]hexanamide Formula: C21H26F3N3O2S MolecularWeight: 441.51025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC(=CC=C1)C(F)(F)F)SC2=NC(=CC(=O)N2C)CC

Isomeric SMILES

CCCCC(C(=O)NCC1=CC(=CC=C1)C(F)(F)F)SC2=NC(=CC(=O)N2C)CC

InChI

InChI=1S/C21H26F3N3O2S/c1-4-6-10-17(30-20-26-16(5-2)12-18(28)27(20)3)19(29)25-13-14-8-7-9-15(11-14)21(22,23)24/h7-9,11-12,17H,4-6,10,13H2,1-3H3,(H,25,29)