2-[2-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoic acid

Systemtic Name: 2-[2-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoic acid Openeye Name: 2-[2-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoic acid CAS Name: 2-[[2-(5-cyano-2-phenoxyphenoxy)-8-methyl-3-purinyl]oxy]benzoic acid IUPAC Name: 2-[2-(5-cyano-2-phenoxyphenoxy)-8-methylpurin-3-yl]oxybenzoic acid Traditional Name: 2-[2-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-3-yl]oxybenzoic acid Formula: C26H17N5O5 MolecularWeight: 479.44368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3C(=O)O)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3C(=O)O)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5

InChI

InChI=1S/C26H17N5O5/c1-16-29-20-15-28-26(31(24(20)30-16)36-21-10-6-5-9-19(21)25(32)33)35-23-13-17(14-27)11-12-22(23)34-18-7-3-2-4-8-18/h2-13,15H,1H3,(H,32,33)