4,6-dimethoxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophen-2-yl]pyrimidine

Systemtic Name: 4,6-dimethoxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophen-2-yl]pyrimidine Openeye Name: 4,6-dimethoxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]benzothiophen-2-yl]pyrimidine CAS Name: 4,6-dimethoxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophen-2-yl]pyrimidine IUPAC Name: 4,6-dimethoxy-2-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophen-2-yl]pyrimidine Traditional Name: 4,6-dimethoxy-2-[3-[3-(trifluoromethyl)benzyl]oxybenzothiophen-2-yl]pyrimidine Formula: C22H17F3N2O3S MolecularWeight: 446.44219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC4=CC(=CC=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC4=CC(=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C22H17F3N2O3S/c1-28-17-11-18(29-2)27-21(26-17)20-19(15-8-3-4-9-16(15)31-20)30-12-13-6-5-7-14(10-13)22(23,24)25/h3-11H,12H2,1-2H3