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

Systemtic Name: 4-methyl-3-[8-methyl-6-(2-phenylmethoxyphenoxy)-9-(phenylmethyl)purin-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-[9-benzyl-6-(2-benzyloxyphenoxy)-8-methyl-purin-2-yl]oxy-4-methyl-benzonitrile CAS Name: 4-methyl-3-[[8-methyl-6-(2-phenylmethoxyphenoxy)-9-(phenylmethyl)-2-purinyl]oxy]benzonitrile IUPAC Name: 3-[9-benzyl-8-methyl-6-(2-phenylmethoxyphenoxy)purin-2-yl]oxy-4-methylbenzonitrile Traditional Name: 3-[6-(2-benzoxyphenoxy)-9-benzyl-8-methyl-purin-2-yl]oxy-4-methyl-benzonitrile Formula: C34H27N5O3 MolecularWeight: 553.60988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC3=C(C(=N2)OC4=CC=CC=C4OCC5=CC=CC=C5)N=C(N3CC6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC3=C(C(=N2)OC4=CC=CC=C4OCC5=CC=CC=C5)N=C(N3CC6=CC=CC=C6)C

InChI

InChI=1S/C34H27N5O3/c1-23-17-18-27(20-35)19-30(23)42-34-37-32-31(36-24(2)39(32)21-25-11-5-3-6-12-25)33(38-34)41-29-16-10-9-15-28(29)40-22-26-13-7-4-8-14-26/h3-19H,21-22H2,1-2H3