4-azanyl-3-[8,9-diethyl-6-[3-(trifluoromethyloxy)phenoxy]purin-2-yl]oxy-benzenecarboximidamide

Systemtic Name: 4-azanyl-3-[8,9-diethyl-6-[3-(trifluoromethyloxy)phenoxy]purin-2-yl]oxy-benzenecarboximidamide Openeye Name: 4-amino-3-[8,9-diethyl-6-[3-(trifluoromethoxy)phenoxy]purin-2-yl]oxy-benzamidine CAS Name: 4-amino-3-[[8,9-diethyl-6-[3-(trifluoromethoxy)phenoxy]-2-purinyl]oxy]benzenecarboximidamide IUPAC Name: 4-amino-3-[8,9-diethyl-6-[3-(trifluoromethoxy)phenoxy]purin-2-yl]oxybenzenecarboximidamide Traditional Name: 4-amino-3-[8,9-diethyl-6-[3-(trifluoromethoxy)phenoxy]purin-2-yl]oxy-benzamidine Formula: C23H22F3N7O3 MolecularWeight: 501.46109

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC(=CC=C3)OC(F)(F)F)OC4=C(C=CC(=C4)C(=N)N)N

Isomeric SMILES

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC(=CC=C3)OC(F)(F)F)OC4=C(C=CC(=C4)C(=N)N)N

InChI

InChI=1S/C23H22F3N7O3/c1-3-17-30-18-20(33(17)4-2)31-22(35-16-10-12(19(28)29)8-9-15(16)27)32-21(18)34-13-6-5-7-14(11-13)36-23(24,25)26/h5-11H,3-4,27H2,1-2H3,(H3,28,29)