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

Systemtic Name: 3-[[6-(5-cyano-2-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(5-cyano-2-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(5-cyano-2-methylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(5-cyano-2-methylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(5-cyano-2-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C28H22N6O3 MolecularWeight: 490.51268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=N3)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=N3)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

InChI

InChI=1S/C28H22N6O3/c1-17-12-13-18(16-29)14-22(17)37-26-23-25(31-24(30-23)19-8-5-4-6-9-19)32-28(33-26)36-21-11-7-10-20(15-21)27(35)34(2)3/h4-15H,1-3H3,(H,30,31,32,33)