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

Systemtic Name: 3-[[6-(3-azanyl-4-cyano-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(3-amino-4-cyano-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-amino-4-cyanophenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(3-amino-4-cyanophenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(3-amino-4-cyano-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C22H19N7O3 MolecularWeight: 429.43136

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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(=C(C=C4)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O3/c1-12-25-18-19(26-12)27-22(32-15-6-4-5-13(9-15)21(30)29(2)3)28-20(18)31-16-8-7-14(11-23)17(24)10-16/h4-10H,24H2,1-3H3,(H,25,26,27,28)