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

Systemtic Name: 3-[[6-(5-cyano-2-methyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(5-cyano-2-methyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(5-cyano-2-methylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(5-cyano-2-methylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(5-cyano-2-methyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C23H20N6O3 MolecularWeight: 428.4433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=N3)C)OC4=CC=CC(=C4)C(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=N3)C)OC4=CC=CC(=C4)C(=O)N(C)C

InChI

InChI=1S/C23H20N6O3/c1-13-8-9-15(12-24)10-18(13)32-21-19-20(26-14(2)25-19)27-23(28-21)31-17-7-5-6-16(11-17)22(30)29(3)4/h5-11H,1-4H3,(H,25,26,27,28)