4-tert-butyl-3-[3-(2-ethoxyphenoxy)-8-methyl-purin-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-tert-butyl-3-[3-(2-ethoxyphenoxy)-8-methyl-purin-2-yl]oxy-benzenecarbonitrile Openeye Name: 4-tert-butyl-3-[3-(2-ethoxyphenoxy)-8-methyl-purin-2-yl]oxy-benzonitrile CAS Name: 4-tert-butyl-3-[[3-(2-ethoxyphenoxy)-8-methyl-2-purinyl]oxy]benzonitrile IUPAC Name: 4-tert-butyl-3-[3-(2-ethoxyphenoxy)-8-methylpurin-2-yl]oxybenzonitrile Traditional Name: 4-tert-butyl-3-[3-(2-ethoxyphenoxy)-8-methyl-purin-2-yl]oxy-benzonitrile Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1ON2C3=NC(=NC3=CN=C2OC4=C(C=CC(=C4)C#N)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1ON2C3=NC(=NC3=CN=C2OC4=C(C=CC(=C4)C#N)C(C)(C)C)C

InChI

InChI=1S/C25H25N5O3/c1-6-31-20-9-7-8-10-21(20)33-30-23-19(28-16(2)29-23)15-27-24(30)32-22-13-17(14-26)11-12-18(22)25(3,4)5/h7-13,15H,6H2,1-5H3