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

Systemtic Name: 3-[2-(2-azanyl-5-cyano-phenoxy)-8,9-diethyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(2-amino-5-cyano-phenoxy)-8,9-diethyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-amino-5-cyanophenoxy)-8,9-diethyl-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[2-(2-amino-5-cyanophenoxy)-8,9-diethylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(2-amino-5-cyano-phenoxy)-8,9-diethyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C25H25N7O3 MolecularWeight: 471.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C#N)N

Isomeric SMILES

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C#N)N

InChI

InChI=1S/C25H25N7O3/c1-5-20-28-21-22(32(20)6-2)29-25(35-19-12-15(14-26)10-11-18(19)27)30-23(21)34-17-9-7-8-16(13-17)24(33)31(3)4/h7-13H,5-6,27H2,1-4H3