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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C22H20F3N3O3S MolecularWeight: 463.47271

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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=C(C=C3)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3N3O3S/c1-14-18(20(30)28-21(26-14)32-13-15-5-3-2-4-6-15)11-12-19(29)27-16-7-9-17(10-8-16)31-22(23,24)25/h2-10H,11-13H2,1H3,(H,27,29)(H,26,28,30)