2,6-dimethoxy-5-(phenylmethyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 2,6-dimethoxy-5-(phenylmethyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-benzylsulfinyl-2,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide CAS Name: 2,6-dimethoxy-5-(phenylmethyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-benzylsulfinyl-2,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-benzylsulfinyl-2,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Formula: C21H18F3N3O4S MolecularWeight: 465.44553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1S(=O)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=NC(=NC(=C1S(=O)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H18F3N3O4S/c1-30-19-17(32(29)12-13-6-4-3-5-7-13)16(26-20(27-19)31-2)18(28)25-15-10-8-14(9-11-15)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28)