3-methoxy-5-[8-methyl-9-(phenylmethyl)-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-methoxy-5-[8-methyl-9-(phenylmethyl)-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-benzenecarbonitrile Openeye Name: 3-[9-benzyl-8-methyl-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-5-methoxy-benzonitrile CAS Name: 3-methoxy-5-[[8-methyl-9-(phenylmethyl)-2-[4-(trifluoromethyl)phenoxy]-6-purinyl]oxy]benzonitrile IUPAC Name: 3-[9-benzyl-8-methyl-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-5-methoxybenzonitrile Traditional Name: 3-[9-benzyl-8-methyl-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-5-methoxy-benzonitrile Formula: C28H20F3N5O3 MolecularWeight: 531.48531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)C#N)OC)OC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)C#N)OC)OC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C28H20F3N5O3/c1-17-33-24-25(36(17)16-18-6-4-3-5-7-18)34-27(39-21-10-8-20(9-11-21)28(29,30)31)35-26(24)38-23-13-19(15-32)12-22(14-23)37-2/h3-14H,16H2,1-2H3