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

Systemtic Name: 3-[2-(2-chloranyl-5-cyano-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(2-chloro-5-cyano-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-chloro-5-cyanophenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(2-chloro-5-cyanophenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[9-benzyl-2-(2-chloro-5-cyano-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C29H23ClN6O3 MolecularWeight: 538.98432

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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)Cl

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)Cl

InChI

InChI=1S/C29H23ClN6O3/c1-18-32-25-26(36(18)17-19-8-5-4-6-9-19)33-29(39-24-14-20(16-31)12-13-23(24)30)34-27(25)38-22-11-7-10-21(15-22)28(37)35(2)3/h4-15H,17H2,1-3H3