N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-homoveratryl-2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C17H18F3N3O3S MolecularWeight: 401.40333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(N=C2C(F)(F)F)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(N=C2C(F)(F)F)SC)OC

InChI

InChI=1S/C17H18F3N3O3S/c1-25-12-5-4-10(8-13(12)26-2)6-7-21-15(24)11-9-22-16(27-3)23-14(11)17(18,19)20/h4-5,8-9H,6-7H2,1-3H3,(H,21,24)