3-[6-(3-bromanyl-5-cyano-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[6-(3-bromanyl-5-cyano-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-6-(3-bromo-5-cyano-phenoxy)-8-methyl-purin-2-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-bromo-5-cyanophenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-6-(3-bromo-5-cyanophenoxy)-8-methylpurin-2-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[9-benzyl-6-(3-bromo-5-cyano-phenoxy)-8-methyl-purin-2-yl]oxy-N,N-dimethyl-benzamide Formula: C29H23BrN6O3 MolecularWeight: 583.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)C#N)Br)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)C#N)Br)OC5=CC=CC(=C5)C(=O)N(C)C

InChI

InChI=1S/C29H23BrN6O3/c1-18-32-25-26(36(18)17-19-8-5-4-6-9-19)33-29(39-23-11-7-10-21(14-23)28(37)35(2)3)34-27(25)38-24-13-20(16-31)12-22(30)15-24/h4-15H,17H2,1-3H3