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

Systemtic Name: 4-azanyl-3-[8-methyl-9-(phenylmethyl)-6-[3-(trifluoromethyloxy)phenoxy]purin-2-yl]oxy-benzenecarboximidamide Openeye Name: 4-amino-3-[9-benzyl-8-methyl-6-[3-(trifluoromethoxy)phenoxy]purin-2-yl]oxy-benzamidine CAS Name: 4-amino-3-[[8-methyl-9-(phenylmethyl)-6-[3-(trifluoromethoxy)phenoxy]-2-purinyl]oxy]benzenecarboximidamide IUPAC Name: 4-amino-3-[9-benzyl-8-methyl-6-[3-(trifluoromethoxy)phenoxy]purin-2-yl]oxybenzenecarboximidamide Traditional Name: 4-amino-3-[9-benzyl-8-methyl-6-[3-(trifluoromethoxy)phenoxy]purin-2-yl]oxy-benzamidine Formula: C27H22F3N7O3 MolecularWeight: 549.50389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22F3N7O3/c1-15-34-22-24(37(15)14-16-6-3-2-4-7-16)35-26(39-21-12-17(23(32)33)10-11-20(21)31)36-25(22)38-18-8-5-9-19(13-18)40-27(28,29)30/h2-13H,14,31H2,1H3,(H3,32,33)