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

Systemtic Name: 2-[2-(5-cyano-2-oxidanyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 2-[9-benzyl-2-(5-cyano-2-hydroxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 2-[[2-(5-cyano-2-hydroxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 2-[9-benzyl-2-(5-cyano-2-hydroxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 2-[9-benzyl-2-(5-cyano-2-hydroxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C29H24N6O4 MolecularWeight: 520.53866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC=C4C(=O)N(C)C)OC5=C(C=CC(=C5)C#N)O

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC=C4C(=O)N(C)C)OC5=C(C=CC(=C5)C#N)O

InChI

InChI=1S/C29H24N6O4/c1-18-31-25-26(35(18)17-19-9-5-4-6-10-19)32-29(39-24-15-20(16-30)13-14-22(24)36)33-27(25)38-23-12-8-7-11-21(23)28(37)34(2)3/h4-15,36H,17H2,1-3H3