4-[[5-bromanyl-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-bromo-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-bromo-4-(2,4,6-trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-bromo-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[5-bromo-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile Formula: C20H17BrN4O MolecularWeight: 409.27918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H17BrN4O/c1-12-8-13(2)18(14(3)9-12)26-19-17(21)11-23-20(25-19)24-16-6-4-15(10-22)5-7-16/h4-9,11H,1-3H3,(H,23,24,25)