3-[[6-(3-azanyl-4-cyano-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(3-azanyl-4-cyano-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(3-amino-4-cyano-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-amino-4-cyanophenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(3-amino-4-cyanophenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(3-amino-4-cyano-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C27H21N7O3 MolecularWeight: 491.50074

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C#N)N)NC(=N3)C5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C#N)N)NC(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H21N7O3/c1-34(2)26(35)17-9-6-10-19(13-17)37-27-32-24-22(30-23(31-24)16-7-4-3-5-8-16)25(33-27)36-20-12-11-18(15-28)21(29)14-20/h3-14H,29H2,1-2H3,(H,30,31,32,33)