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

Systemtic Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile Formula: C22H17N5O MolecularWeight: 367.40328

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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=CC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O/c1-15-12-18(4-3-10-23)13-16(2)21(15)28-20-9-11-25-22(27-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H,25,26,27)/b4-3+