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

Systemtic Name: 3-[[6-(3-bromanyl-5-cyano-phenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[8-benzyl-6-(3-bromo-5-cyano-phenoxy)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-bromo-5-cyanophenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[8-benzyl-6-(3-bromo-5-cyanophenoxy)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[8-benzyl-6-(3-bromo-5-cyano-phenoxy)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C28H21BrN6O3 MolecularWeight: 569.40874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=CC(=C4)C#N)Br)NC(=N3)CC5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=CC(=C4)C#N)Br)NC(=N3)CC5=CC=CC=C5

InChI

InChI=1S/C28H21BrN6O3/c1-35(2)27(36)19-9-6-10-21(14-19)38-28-33-25-24(31-23(32-25)13-17-7-4-3-5-8-17)26(34-28)37-22-12-18(16-30)11-20(29)15-22/h3-12,14-15H,13H2,1-2H3,(H,31,32,33,34)