3-[[6-(5-cyano-2-methyl-phenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(5-cyano-2-methyl-phenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[8-benzyl-6-(5-cyano-2-methyl-phenoxy)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(5-cyano-2-methylphenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[8-benzyl-6-(5-cyano-2-methylphenoxy)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[8-benzyl-6-(5-cyano-2-methyl-phenoxy)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C29H24N6O3 MolecularWeight: 504.53926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=N3)CC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=N3)CC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

InChI

InChI=1S/C29H24N6O3/c1-18-12-13-20(17-30)14-23(18)38-27-25-26(32-24(31-25)15-19-8-5-4-6-9-19)33-29(34-27)37-22-11-7-10-21(16-22)28(36)35(2)3/h4-14,16H,15H2,1-3H3,(H,31,32,33,34)