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

Systemtic Name: 3-[2-(5-cyano-2-ethoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(5-cyano-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-ethoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(5-cyano-2-ethoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[9-benzyl-2-(5-cyano-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C31H28N6O4 MolecularWeight: 548.59182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3CC5=CC=CC=C5)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3CC5=CC=CC=C5)C

InChI

InChI=1S/C31H28N6O4/c1-5-39-25-15-14-22(18-32)16-26(25)41-31-34-28-27(33-20(2)37(28)19-21-10-7-6-8-11-21)29(35-31)40-24-13-9-12-23(17-24)30(38)36(3)4/h6-17H,5,19H2,1-4H3