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

Systemtic Name: 3-methoxy-5-[8-methyl-9-(phenylmethyl)-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-benzenecarboximidamide Openeye Name: 3-[9-benzyl-8-methyl-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-5-methoxy-benzamidine CAS Name: 3-methoxy-5-[[8-methyl-9-(phenylmethyl)-2-[4-(trifluoromethyl)phenoxy]-6-purinyl]oxy]benzenecarboximidamide IUPAC Name: 3-[9-benzyl-8-methyl-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-5-methoxybenzenecarboximidamide Traditional Name: 3-[9-benzyl-8-methyl-2-[4-(trifluoromethyl)phenoxy]purin-6-yl]oxy-5-methoxy-benzamidine Formula: C28H23F3N6O3 MolecularWeight: 548.51583

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H23F3N6O3/c1-16-34-23-25(37(16)15-17-6-4-3-5-7-17)35-27(40-20-10-8-19(9-11-20)28(29,30)31)36-26(23)39-22-13-18(24(32)33)12-21(14-22)38-2/h3-14H,15H2,1-2H3,(H3,32,33)