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

Systemtic Name: 4-cyano-2-[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-N,N-diethyl-benzamide Openeye Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide CAS Name: 4-cyano-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-N,N-diethylbenzamide IUPAC Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-2-yl]oxy-4-cyano-N,N-diethylbenzamide Traditional Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide Formula: C34H33N7O4 MolecularWeight: 603.67032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=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

CCN(CC)C(=O)C1=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/C34H33N7O4/c1-6-40(7-2)33(43)27-17-16-24(20-35)18-28(27)45-34-37-30-29(36-22(3)41(30)21-23-12-9-8-10-13-23)31(38-34)44-26-15-11-14-25(19-26)32(42)39(4)5/h8-19H,6-7,21H2,1-5H3