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

Systemtic Name: 4-[[4-[[4-[(E)-2-cyanoethenyl]-2-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C21H16N6 MolecularWeight: 352.39194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC#N)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C#N)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N6/c1-15-13-16(3-2-11-22)6-9-19(15)26-20-10-12-24-21(27-20)25-18-7-4-17(14-23)5-8-18/h2-10,12-13H,1H3,(H2,24,25,26,27)/b3-2+