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

Systemtic Name: 3-[8,9-diethyl-6-(2-phenylmethoxyphenoxy)purin-2-yl]oxy-4-methyl-benzenecarbonitrile Openeye Name: 3-[6-(2-benzyloxyphenoxy)-8,9-diethyl-purin-2-yl]oxy-4-methyl-benzonitrile CAS Name: 3-[[8,9-diethyl-6-(2-phenylmethoxyphenoxy)-2-purinyl]oxy]-4-methylbenzonitrile IUPAC Name: 3-[8,9-diethyl-6-(2-phenylmethoxyphenoxy)purin-2-yl]oxy-4-methylbenzonitrile Traditional Name: 3-[6-(2-benzoxyphenoxy)-8,9-diethyl-purin-2-yl]oxy-4-methyl-benzonitrile Formula: C30H27N5O3 MolecularWeight: 505.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC=C3OCC4=CC=CC=C4)OC5=C(C=CC(=C5)C#N)C

Isomeric SMILES

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC=C3OCC4=CC=CC=C4)OC5=C(C=CC(=C5)C#N)C

InChI

InChI=1S/C30H27N5O3/c1-4-26-32-27-28(35(26)5-2)33-30(38-25-17-22(18-31)16-15-20(25)3)34-29(27)37-24-14-10-9-13-23(24)36-19-21-11-7-6-8-12-21/h6-17H,4-5,19H2,1-3H3