3-[[6-(4-cyano-3-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(4-cyano-3-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(4-cyano-3-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(4-cyano-3-methylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(4-cyano-3-methylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(4-cyano-3-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=CC(=C1)OC2=NC(=NC3=C2NC(=N3)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C)C#N

Isomeric SMILES

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

InChI

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