4-[2-[3-(dimethylamino)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[2-[3-(dimethylamino)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-2-methyl-benzenecarbonitrile Openeye Name: 4-[9-benzyl-2-[3-(dimethylamino)phenoxy]-8-methyl-purin-6-yl]oxy-2-methyl-benzonitrile CAS Name: 4-[[2-[3-(dimethylamino)phenoxy]-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-2-methylbenzonitrile IUPAC Name: 4-[9-benzyl-2-[3-(dimethylamino)phenoxy]-8-methylpurin-6-yl]oxy-2-methylbenzonitrile Traditional Name: 4-[9-benzyl-2-[3-(dimethylamino)phenoxy]-8-methyl-purin-6-yl]oxy-2-methyl-benzonitrile Formula: C29H26N6O2 MolecularWeight: 490.55574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)N(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)N(C)C)C#N

InChI

InChI=1S/C29H26N6O2/c1-19-15-25(14-13-22(19)17-30)36-28-26-27(35(20(2)31-26)18-21-9-6-5-7-10-21)32-29(33-28)37-24-12-8-11-23(16-24)34(3)4/h5-16H,18H2,1-4H3