4-[[7-(2,6-dimethyl-4-pyridin-4-yl-phenoxy)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[7-(2,6-dimethyl-4-pyridin-4-yl-phenoxy)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]benzenecarbonitrile Openeye Name: 4-[[7-[2,6-dimethyl-4-(4-pyridyl)phenoxy]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]benzonitrile CAS Name: 4-[[7-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]benzonitrile IUPAC Name: 4-[[7-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]benzonitrile Traditional Name: 4-[[7-[2,6-dimethyl-4-(4-pyridyl)phenoxy]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]benzonitrile Formula: C25H19N7O MolecularWeight: 433.46466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NN=C3)NC4=CC=C(C=C4)C#N)C)C5=CC=NC=C5

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NN=C3)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)23(15)33-24-22-21(14-28-32-22)30-25(31-24)29-20-5-3-17(13-26)4-6-20/h3-12,14H,1-2H3,(H,28,32)(H,29,30,31)