3-[[6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-cyano-5-phenoxyphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(3-cyano-5-phenoxyphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C28H22N6O4 MolecularWeight: 506.51208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N

InChI

InChI=1S/C28H22N6O4/c1-17-30-24-25(31-17)32-28(38-21-11-7-8-19(14-21)27(35)34(2)3)33-26(24)37-23-13-18(16-29)12-22(15-23)36-20-9-5-4-6-10-20/h4-15H,1-3H3,(H,30,31,32,33)