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

Systemtic Name: 3-[[6-(3-bromanyl-5-cyano-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(3-bromo-5-cyano-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-bromo-5-cyanophenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(3-bromo-5-cyanophenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(3-bromo-5-cyano-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C22H17BrN6O3 MolecularWeight: 493.31278

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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)C#N)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN6O3/c1-12-25-18-19(26-12)27-22(32-16-6-4-5-14(9-16)21(30)29(2)3)28-20(18)31-17-8-13(11-24)7-15(23)10-17/h4-10H,1-3H3,(H,25,26,27,28)