tert-butyl 3-[2-[2-(5-cyano-2-methoxy-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]propanoate

Systemtic Name: tert-butyl 3-[2-[2-(5-cyano-2-methoxy-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]propanoate Openeye Name: tert-butyl 3-[2-[2-(5-cyano-2-methoxy-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]propanoate CAS Name: 3-[2-[[2-(5-cyano-2-methoxyphenoxy)-8-methyl-3-purinyl]oxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[2-(5-cyano-2-methoxyphenoxy)-8-methylpurin-3-yl]oxyphenyl]propanoate Traditional Name: 3-[2-[2-(5-cyano-2-methoxy-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]propionic acid tert-butyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3CCC(=O)OC(C)(C)C)OC4=C(C=CC(=C4)C#N)OC

Isomeric SMILES

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3CCC(=O)OC(C)(C)C)OC4=C(C=CC(=C4)C#N)OC

InChI

InChI=1S/C27H27N5O5/c1-17-30-20-16-29-26(35-23-14-18(15-28)10-12-22(23)34-5)32(25(20)31-17)37-21-9-7-6-8-19(21)11-13-24(33)36-27(2,3)4/h6-10,12,14,16H,11,13H2,1-5H3