4-azanyl-3-[[8-ethyl-6-[3-(trifluoromethyloxy)phenoxy]-7H-purin-2-yl]oxy]benzenecarboximidamide

Systemtic Name: 4-azanyl-3-[[8-ethyl-6-[3-(trifluoromethyloxy)phenoxy]-7H-purin-2-yl]oxy]benzenecarboximidamide Openeye Name: 4-amino-3-[[8-ethyl-6-[3-(trifluoromethoxy)phenoxy]-7H-purin-2-yl]oxy]benzamidine CAS Name: 4-amino-3-[[8-ethyl-6-[3-(trifluoromethoxy)phenoxy]-7H-purin-2-yl]oxy]benzenecarboximidamide IUPAC Name: 4-amino-3-[[8-ethyl-6-[3-(trifluoromethoxy)phenoxy]-7H-purin-2-yl]oxy]benzenecarboximidamide Traditional Name: 4-amino-3-[[8-ethyl-6-[3-(trifluoromethoxy)phenoxy]-7H-purin-2-yl]oxy]benzamidine Formula: C21H18F3N7O3 MolecularWeight: 473.40793

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)N)OC4=CC(=CC=C4)OC(F)(F)F

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)N)OC4=CC(=CC=C4)OC(F)(F)F

InChI

InChI=1S/C21H18F3N7O3/c1-2-15-28-16-18(29-15)30-20(33-14-8-10(17(26)27)6-7-13(14)25)31-19(16)32-11-4-3-5-12(9-11)34-21(22,23)24/h3-9H,2,25H2,1H3,(H3,26,27)(H,28,29,30,31)