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

Systemtic Name: 3-[2-(5-cyano-2-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-phenoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(5-cyano-2-phenoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[9-benzyl-2-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C35H28N6O4 MolecularWeight: 596.63462

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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(=O)N(C)C)OC5=C(C=CC(=C5)C#N)OC6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C#N)OC6=CC=CC=C6

InChI

InChI=1S/C35H28N6O4/c1-23-37-31-32(41(23)22-24-11-6-4-7-12-24)38-35(39-33(31)44-28-16-10-13-26(20-28)34(42)40(2)3)45-30-19-25(21-36)17-18-29(30)43-27-14-8-5-9-15-27/h4-20H,22H2,1-3H3