Chem
J-GLOBAL ID：200907000217228808   Nikkaji number：J1.080.001C

5-[4-(4-Hexylphenyl)-1,3-butadiynyl]pyrimidine-2-carbonitrile

5-[4-(4-ヘキシルフェニル)-1,3-ブタジイニル]ピリミジン-2-カルボニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H19N3
Molecular formula furigana： C21-H19-N3
Molecular weight： 313.404
InChI： InChI=1S/C21H19N3/c1-2-3-4-5-8-18-11-13-19(14-12-18)9-6-7-10-20-16-23-21(15-22)24-17-20/h11-14,16-17H,2-5,8H2,1H3
InChI key： NRKFITKUGVPKSH-UHFFFAOYSA-N
SMILES： CCCCCCc1ccc(cc1)C#CC#Cc1cnc(nc1)C#N
Systematic name  (3)：
  • 5-[4-(4-ヘキシルフェニル)-1,3-ブタジイニル]ピリミジン-2-カルボニトリル
  • 5-[4-(4-ヘキシルフェニル)ブタ-1,3-ジイン-1-イル]ピリミジン-2-カルボニトリル
  • 5-[4-(4-hexylphenyl)buta-1,3-diyn-1-yl]pyrimidine-2-carbonitrile
Other name (1)：
  • 5-[4-(4-Hexylphenyl)-1,3-butadiynyl]pyrimidine-2-carbonitrile
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