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

Systemtic Name: 4-methoxy-3-[8-methyl-2-(3-methylphenoxy)-9-(phenylmethyl)purin-6-yl]oxy-benzenecarbonitrile Openeye Name: 3-[9-benzyl-8-methyl-2-(3-methylphenoxy)purin-6-yl]oxy-4-methoxy-benzonitrile CAS Name: 4-methoxy-3-[[8-methyl-2-(3-methylphenoxy)-9-(phenylmethyl)-6-purinyl]oxy]benzonitrile IUPAC Name: 3-[9-benzyl-8-methyl-2-(3-methylphenoxy)purin-6-yl]oxy-4-methoxybenzonitrile Traditional Name: 3-[9-benzyl-8-methyl-2-(3-methylphenoxy)purin-6-yl]oxy-4-methoxy-benzonitrile Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)OC)N=C(N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)OC)N=C(N3CC5=CC=CC=C5)C

InChI

InChI=1S/C28H23N5O3/c1-18-8-7-11-22(14-18)35-28-31-26-25(30-19(2)33(26)17-20-9-5-4-6-10-20)27(32-28)36-24-15-21(16-29)12-13-23(24)34-3/h4-15H,17H2,1-3H3