N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]ethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]ethyl]-3-(trifluoromethyl)benzamide Formula: C17H18F3N3O3S MolecularWeight: 401.40333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CSCCNC(=O)C2=CC(=CC=C2)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=NC(=N1)CSCCNC(=O)C2=CC(=CC=C2)C(F)(F)F)OC

InChI

InChI=1S/C17H18F3N3O3S/c1-25-14-9-15(26-2)23-13(22-14)10-27-7-6-21-16(24)11-4-3-5-12(8-11)17(18,19)20/h3-5,8-9H,6-7,10H2,1-2H3,(H,21,24)