Chem
J-GLOBAL ID:200907051041570257   Nikkaji number:J2.039.993G

6-Methyl-2-[6-[4-[(E)-4-chlorostyryl]phenoxy]hexylthio]pyrimidine-4(3H)-one

6-メチル-2-[6-[4-[(E)-4-クロロスチリル]フェノキシ]ヘキシルチオ]ピリミジン-4(3H)-オン
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: C25H27ClN2O2S
Molecular formula furigana: C25-H27-CL-N2-O2-S
Molecular weight: 455.010
InChI: InChI=1S/C25H27ClN2O2S/c1-19-18-24(29)28-25(27-19)31-17-5-3-2-4-16-30-23-14-10-21(11-15-23)7-6-20-8-12-22(26)13-9-20/h6-15,18H,2-5,16-17H2,1H3,(H,27,28,29)/b7-6+
InChI key: OPYWXBSCEQFYPF-VOTSOKGWSA-N
SMILES: Cc1cc(=O)[nH]c(SCCCCCCOc2ccc(/C=C/c3ccc(Cl)cc3)cc2)n1
Systematic name  (3):
  • 6-メチル-2-[6-[4-[(E)-4-クロロスチリル]フェノキシ]ヘキシルチオ]ピリミジン-4(3H)-オン
  • 2-[(6-{4-[(1E)-2-(4-クロロフェニル)エテニル]フェノキシ}ヘキシル)スルファニル]-6-メチル-3,4-ジヒドロピリミジン-4-オン
  • 2-[(6-{4-[(1E)-2-(4-chlorophenyl)ethenyl]phenoxy}hexyl)sulfanyl]-6-methyl-3,4-dihydropyrimidin-4-one
Other name (1):
  • 6-Methyl-2-[6-[4-[(E)-4-chlorostyryl]phenoxy]hexylthio]pyrimidine-4(3H)-one
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