4-[[6-(2,6-dimethyl-4-pyridin-4-yl-phenoxy)-7H-purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-(2,6-dimethyl-4-pyridin-4-yl-phenoxy)-7H-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[2,6-dimethyl-4-(4-pyridyl)phenoxy]-7H-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7H-purin-2-yl]amino]benzonitrile IUPAC Name: 4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7H-purin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[2,6-dimethyl-4-(4-pyridyl)phenoxy]-7H-purin-2-yl]amino]benzonitrile Formula: C25H19N7O MolecularWeight: 433.46466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N7O/c1-15-11-19(18-7-9-27-10-8-18)12-16(2)22(15)33-24-21-23(29-14-28-21)31-25(32-24)30-20-5-3-17(13-26)4-6-20/h3-12,14H,1-2H3,(H2,28,29,30,31,32)