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

Systemtic Name: 3-[2-(2-azanyl-5-cyano-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(2-amino-5-cyano-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-amino-5-cyanophenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[2-(2-amino-5-cyanophenoxy)-9-benzyl-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(2-amino-5-cyano-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C29H25N7O3 MolecularWeight: 519.5539

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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)N

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)N

InChI

InChI=1S/C29H25N7O3/c1-18-32-25-26(36(18)17-19-8-5-4-6-9-19)33-29(39-24-14-20(16-30)12-13-23(24)31)34-27(25)38-22-11-7-10-21(15-22)28(37)35(2)3/h4-15H,17,31H2,1-3H3