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

Systemtic Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxy-benzenecarbonitrile Openeye Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxy-benzonitrile CAS Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxybenzonitrile IUPAC Name: 3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxybenzonitrile Traditional Name: 3-[[8-methyl-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-7H-purin-6-yl]oxy]-4-phenoxy-benzonitrile Formula: C29H23N7O3 MolecularWeight: 517.53802

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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)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)OC6=CC=CC=C6

InChI

InChI=1S/C29H23N7O3/c1-18-32-25-26(33-18)34-29(38-22-10-6-7-20(16-22)27-31-13-14-36(27)2)35-28(25)39-24-15-19(17-30)11-12-23(24)37-21-8-4-3-5-9-21/h3-12,15-16H,13-14H2,1-2H3,(H,32,33,34,35)