Chem
J-GLOBAL ID：202007002196694529   Nikkaji number：J3.757.024I

Centrinone

セントリノン
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： C26H25F2N7O6S2
Molecular formula furigana： C26-H25-F2-N7-O6-S2
Molecular weight： 633.650
InChI： InChI=1S/C26H25F2N7O6S2/c1-15-12-21(33-32-15)29-24-23(40-2)25(34-8-10-41-11-9-34)31-26(30-24)42-20-7-6-17(13-18(20)27)43(38,39)14-16-4-3-5-19(22(16)28)35(36)37/h3-7,12-13H,8-11,14H2,1-2H3,(H2,29,30,31,32,33)
InChI key： HHJSKDRCUMVWKF-UHFFFAOYSA-N
SMILES： c1(c(nc(nc1N1CCOCC1)Sc1c(cc(cc1)S(=O)(=O)Cc1c(c(ccc1)[N+](=O)[O-])F)F)Nc1n[nH]c(c1)C)OC
Systematic name  (3)：
  • N-(5-メチル-1H-ピラゾール-3-イル)-2-[4-(2-フルオロ-3-ニトロベンジルスルホニル)-2-フルオロフェニルチオ]-5-メトキシ-6-モルホリノピリミジン-4-アミン
  • 2-({2-フルオロ-4-[(2-フルオロ-3-ニトロフェニル)メタンスルホニル]フェニル}スルファニル)-5-メトキシ-N-(5-メチル-1H-ピラゾール-3-イル)-6-(モルホリン-4-イル)ピリミジン-4-アミン
  • 2-({2-fluoro-4-[(2-fluoro-3-nitrophenyl)methanesulfonyl]phenyl}sulfanyl)-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-yl)pyrimidin-4-amine
Other name (2)：
  • セントリノン
  • Centrinone
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