3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxy-benzenecarboximidamide

Systemtic Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxy-benzenecarboximidamide Openeye Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxy-benzamidine CAS Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxybenzenecarboximidamide IUPAC Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxybenzenecarboximidamide Traditional Name: 3-[[8-methyl-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxy-benzamidine Formula: C29H26N8O3 MolecularWeight: 534.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC(=C3)C4=NCCN4C)OC5=C(C=CC(=C5)C(=N)N)OC6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC(=C3)C4=NCCN4C)OC5=C(C=CC(=C5)C(=N)N)OC6=CC=CC=C6

InChI

InChI=1S/C29H26N8O3/c1-17-33-24-26(34-17)35-29(39-21-10-6-7-19(15-21)27-32-13-14-37(27)2)36-28(24)40-23-16-18(25(30)31)11-12-22(23)38-20-8-4-3-5-9-20/h3-12,15-16H,13-14H2,1-2H3,(H3,30,31)(H,33,34,35,36)