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

Systemtic Name: 4-[[6-(2-chloranyl-6-methyl-4-pyridin-4-yl-phenoxy)-7H-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[2-chloro-6-methyl-4-(4-pyridyl)phenoxy]-7H-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-(2-chloro-6-methyl-4-pyridin-4-ylphenoxy)-7H-purin-2-yl]amino]benzonitrile IUPAC Name: 4-[[6-(2-chloro-6-methyl-4-pyridin-4-ylphenoxy)-7H-purin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[2-chloro-6-methyl-4-(4-pyridyl)phenoxy]-7H-purin-2-yl]amino]benzonitrile Formula: C24H16ClN7O MolecularWeight: 453.88314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=NC=C2)Cl)OC3=NC(=NC4=C3NC=N4)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=NC=C2)Cl)OC3=NC(=NC4=C3NC=N4)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H16ClN7O/c1-14-10-17(16-6-8-27-9-7-16)11-19(25)21(14)33-23-20-22(29-13-28-20)31-24(32-23)30-18-4-2-15(12-26)3-5-18/h2-11,13H,1H3,(H2,28,29,30,31,32)