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

Systemtic Name: 3-[2-(5-cyano-2-methyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(5-cyano-2-methyl-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-methylphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(5-cyano-2-methylphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[9-benzyl-2-(5-cyano-2-methyl-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C30H26N6O3 MolecularWeight: 518.56584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C30H26N6O3/c1-19-13-14-22(17-31)15-25(19)39-30-33-27-26(32-20(2)36(27)18-21-9-6-5-7-10-21)28(34-30)38-24-12-8-11-23(16-24)29(37)35(3)4/h5-16H,18H2,1-4H3