4-[[4-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-ethynyl-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-ethynyl-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzonitrile Formula: C21H16N4O MolecularWeight: 340.37794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C#C

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C#C

InChI

InChI=1S/C21H16N4O/c1-4-16-11-14(2)20(15(3)12-16)26-19-9-10-23-21(25-19)24-18-7-5-17(13-22)6-8-18/h1,5-12H,2-3H3,(H,23,24,25)