tert-butyl 2-[2-(5-cyano-2-ethoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoate

Systemtic Name: tert-butyl 2-[2-(5-cyano-2-ethoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoate Openeye Name: tert-butyl 2-[2-(5-cyano-2-ethoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoate CAS Name: 2-[[2-(5-cyano-2-ethoxyphenoxy)-8-methyl-3-purinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(5-cyano-2-ethoxyphenoxy)-8-methylpurin-3-yl]oxybenzoate Traditional Name: 2-[2-(5-cyano-2-ethoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoic acid tert-butyl ester Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC=C3C(=NC(=N3)C)N2OC4=CC=CC=C4C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC=C3C(=NC(=N3)C)N2OC4=CC=CC=C4C(=O)OC(C)(C)C

InChI

InChI=1S/C26H25N5O5/c1-6-33-21-12-11-17(14-27)13-22(21)34-25-28-15-19-23(30-16(2)29-19)31(25)36-20-10-8-7-9-18(20)24(32)35-26(3,4)5/h7-13,15H,6H2,1-5H3