3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c1-14-18(20(30)28-21(26-14)31-13-15-6-3-2-4-7-15)10-11-19(29)27-17-9-5-8-16(12-17)22(23,24)25/h2-9,12H,10-11,13H2,1H3,(H,27,29)(H,26,28,30)