4-[4-[[2-[(4-cyanophenyl)amino]-7H-purin-6-yl]oxy]-3,5-dimethyl-phenyl]benzamide

Systemtic Name: 4-[4-[[2-[(4-cyanophenyl)amino]-7H-purin-6-yl]oxy]-3,5-dimethyl-phenyl]benzamide Openeye Name: 4-[4-[[2-(4-cyanoanilino)-7H-purin-6-yl]oxy]-3,5-dimethyl-phenyl]benzamide CAS Name: 4-[4-[[2-(4-cyanoanilino)-7H-purin-6-yl]oxy]-3,5-dimethylphenyl]benzamide IUPAC Name: 4-[4-[[2-(4-cyanoanilino)-7H-purin-6-yl]oxy]-3,5-dimethylphenyl]benzamide Traditional Name: 4-[4-[[2-(4-cyanoanilino)-7H-purin-6-yl]oxy]-3,5-dimethyl-phenyl]benzamide Formula: C27H21N7O2 MolecularWeight: 475.50134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N)C)C5=CC=C(C=C5)C(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N)C)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C27H21N7O2/c1-15-11-20(18-5-7-19(8-6-18)24(29)35)12-16(2)23(15)36-26-22-25(31-14-30-22)33-27(34-26)32-21-9-3-17(13-28)4-10-21/h3-12,14H,1-2H3,(H2,29,35)(H2,30,31,32,33,34)