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

Systemtic Name: 3-[2-(2-tert-butyl-5-cyano-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(2-tert-butyl-5-cyano-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-tert-butyl-5-cyanophenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(2-tert-butyl-5-cyanophenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[9-benzyl-2-(2-tert-butyl-5-cyano-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C33H32N6O3 MolecularWeight: 560.64558

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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)C(C)(C)C

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)C(C)(C)C

InChI

InChI=1S/C33H32N6O3/c1-21-35-28-29(39(21)20-22-11-8-7-9-12-22)36-32(42-27-17-23(19-34)15-16-26(27)33(2,3)4)37-30(28)41-25-14-10-13-24(18-25)31(40)38(5)6/h7-18H,20H2,1-6H3