Chem
J-GLOBAL ID：200907044170313655   Nikkaji number：J2.449.810G

R-185545

2-(4-シアノアニリノ)-4-(2,6-ジメチル-4-シアノフェノキシ)-5-ブロモ-6-(ヒドロキシメチル)ピリミジン
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： C21H16BrN5O2
Molecular formula furigana： C21-H16-BR-N5-O2
Molecular weight： 450.296
InChI： InChI=1S/C21H16BrN5O2/c1-12-7-15(10-24)8-13(2)19(12)29-20-18(22)17(11-28)26-21(27-20)25-16-5-3-14(9-23)4-6-16/h3-8,28H,11H2,1-2H3,(H,25,26,27)
InChI key： LSIZSSASMKSUIU-UHFFFAOYSA-N
SMILES： Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(CO)c1Br)C#N
Systematic name  (4)：
  • 2-(4-シアノアニリノ)-4-(2,6-ジメチル-4-シアノフェノキシ)-5-ブロモ-6-(ヒドロキシメチル)ピリミジン
  • 4-[5-ブロモ-2-(4-シアノアニリノ)-6-(ヒドロキシメチル)ピリミジン-4-イルオキシ]-3,5-ジメチルベンゾニトリル
  • 4-({5-ブロモ-2-[(4-シアノフェニル)アミノ]-6-(ヒドロキシメチル)ピリミジン-4-イル}オキシ)-3,5-ジメチルベンゾニトリル
  • 4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
Other name (3)：
  • 2-(4-Cyanoanilino)-4-(2,6-dimethyl-4-cyanophenoxy)-5-bromo-6-(hydroxymethyl)pyrimidine
  • R-185545
  • 4-[5-Bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidine-4-yloxy]-3,5-dimethylbenzonitrile
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