4-[[4-[4-[(E)-2-cyanoethenyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methylphenoxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile Formula: C21H15N5O MolecularWeight: 353.3767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC#N)OC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C#N)OC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15N5O/c1-15-13-16(3-2-11-22)6-9-19(15)27-20-10-12-24-21(26-20)25-18-7-4-17(14-23)5-8-18/h2-10,12-13H,1H3,(H,24,25,26)/b3-2+