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

Systemtic Name: 3-[2-(5-cyano-2-phenylmethoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(2-benzyloxy-5-cyano-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-phenylmethoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(5-cyano-2-phenylmethoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(2-benzoxy-5-cyano-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C36H30N6O4 MolecularWeight: 610.6612

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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)OCC6=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)OCC6=CC=CC=C6

InChI

InChI=1S/C36H30N6O4/c1-24-38-32-33(42(24)22-25-11-6-4-7-12-25)39-36(40-34(32)45-29-16-10-15-28(20-29)35(43)41(2)3)46-31-19-27(21-37)17-18-30(31)44-23-26-13-8-5-9-14-26/h4-20H,22-23H2,1-3H3