(phenylmethyl) 2-[3-(2-azanylphenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-benzoate

Systemtic Name: (phenylmethyl) 2-[3-(2-azanylphenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-benzoate Openeye Name: benzyl 2-[3-(2-aminophenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-benzoate CAS Name: 2-[[3-(2-aminophenoxy)-8-methyl-2-purinyl]oxy]-4-cyanobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(2-aminophenoxy)-8-methylpurin-2-yl]oxy-4-cyanobenzoate Traditional Name: 2-[3-(2-aminophenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-benzoic acid benzyl ester Formula: C27H20N6O4 MolecularWeight: 492.4855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3N)OC4=C(C=CC(=C4)C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3N)OC4=C(C=CC(=C4)C#N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H20N6O4/c1-17-31-22-15-30-27(33(25(22)32-17)37-23-10-6-5-9-21(23)29)36-24-13-19(14-28)11-12-20(24)26(34)35-16-18-7-3-2-4-8-18/h2-13,15H,16,29H2,1H3