4-azanyl-3-[8-ethyl-3-[2-(trifluoromethyloxy)phenoxy]purin-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-azanyl-3-[8-ethyl-3-[2-(trifluoromethyloxy)phenoxy]purin-2-yl]oxy-benzenecarbonitrile Openeye Name: 4-amino-3-[8-ethyl-3-[2-(trifluoromethoxy)phenoxy]purin-2-yl]oxy-benzonitrile CAS Name: 4-amino-3-[[8-ethyl-3-[2-(trifluoromethoxy)phenoxy]-2-purinyl]oxy]benzonitrile IUPAC Name: 4-amino-3-[8-ethyl-3-[2-(trifluoromethoxy)phenoxy]purin-2-yl]oxybenzonitrile Traditional Name: 4-amino-3-[8-ethyl-3-[2-(trifluoromethoxy)phenoxy]purin-2-yl]oxy-benzonitrile Formula: C21H15F3N6O3 MolecularWeight: 456.37741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3OC(F)(F)F)OC4=C(C=CC(=C4)C#N)N

Isomeric SMILES

CCC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3OC(F)(F)F)OC4=C(C=CC(=C4)C#N)N

InChI

InChI=1S/C21H15F3N6O3/c1-2-18-28-14-11-27-20(31-17-9-12(10-25)7-8-13(17)26)30(19(14)29-18)33-16-6-4-3-5-15(16)32-21(22,23)24/h3-9,11H,2,26H2,1H3