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CAS 500292-48-8

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4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2-methylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile

Description:
4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2-methylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile, with the CAS number 500292-48-8, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple aromatic rings and functional groups such as cyano and amino groups. This compound is typically classified as a small molecule and may exhibit properties relevant to medicinal chemistry, particularly in the context of drug design and development. Its structure suggests potential interactions with biological targets, making it of interest in pharmacological research. The presence of the cyano group may impart unique electronic properties, while the amino groups can facilitate hydrogen bonding and interactions with biological macromolecules. Additionally, the compound's solubility, stability, and reactivity would depend on its specific molecular interactions and the environment in which it is studied. Overall, this compound represents a class of molecules that may have applications in therapeutic areas, although detailed studies would be necessary to elucidate its biological activity and potential uses.
Formula:C21H16N6
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+
InChI key:InChIKey=FHPSDGUUMXPNGR-NSCUHMNNSA-N
SMILES:N(C1=NC(NC2=CC=C(C#N)C=C2)=NC=C1)C3=C(C)C=C(/C=C/C#N)C=C3
Synonyms:
  • Benzonitrile, 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2-methylphenyl]amino]-2-pyrimidinyl]amino]-
  • 4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2-methylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile
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