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

Systemtic Name: 4-methyl-3-[8-methyl-3-(2-phenylmethoxyphenoxy)purin-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-[3-(2-benzyloxyphenoxy)-8-methyl-purin-2-yl]oxy-4-methyl-benzonitrile CAS Name: 4-methyl-3-[[8-methyl-3-(2-phenylmethoxyphenoxy)-2-purinyl]oxy]benzonitrile IUPAC Name: 4-methyl-3-[8-methyl-3-(2-phenylmethoxyphenoxy)purin-2-yl]oxybenzonitrile Traditional Name: 3-[3-(2-benzoxyphenoxy)-8-methyl-purin-2-yl]oxy-4-methyl-benzonitrile Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC=C3C(=NC(=N3)C)N2OC4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC=C3C(=NC(=N3)C)N2OC4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C27H21N5O3/c1-18-12-13-21(15-28)14-25(18)34-27-29-16-22-26(31-19(2)30-22)32(27)35-24-11-7-6-10-23(24)33-17-20-8-4-3-5-9-20/h3-14,16H,17H2,1-2H3