Chem
J-GLOBAL ID：200907081072780906   Nikkaji number：J1.036.814F

5-[(E)-2-Bromovinyl]-2-[[(3S)-4α-hydroxy-5β-(hydroxymethyl)tetrahydrothiophene-3β-yl]oxy]pyrimidine-4(3H)-one

5-[(E)-2-ブロモビニル]-2-[[(3S)-4α-ヒドロキシ-5β-(ヒドロキシメチル)テトラヒドロチオフェン-3β-イル]オキシ]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： C11H13BrN2O4S
Molecular formula furigana： C11-H13-BR-N2-O4-S
Molecular weight： 349.200
InChI： InChI=1S/C11H13BrN2O4S/c12-2-1-6-3-13-11(14-10(6)17)18-7-5-19-8(4-15)9(7)16/h1-3,7-9,15-16H,4-5H2,(H,13,14,17)/b2-1+/t7-,8-,9+/m1/s1
InChI key： QRQBYIJEJVNXOE-FINDFIAGSA-N
SMILES： OC[C@H]1SC[C@@H](Oc2ncc(/C=C/Br)c(=O)[nH]2)[C@@H]1O
Systematic name  (3)：
  • 5-[(E)-2-ブロモビニル]-2-[[(3S)-4α-ヒドロキシ-5β-(ヒドロキシメチル)テトラヒドロチオフェン-3β-イル]オキシ]ピリミジン-4(3H)-オン
  • 5-[(1E)-2-ブロモエテニル]-2-{[(3S,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)チオラン-3-イル]オキシ}-3,4-ジヒドロピリミジン-4-オン
  • 5-[(1E)-2-bromoethenyl]-2-{[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-3-yl]oxy}-3,4-dihydropyrimidin-4-one
Other name (1)：
  • 5-[(E)-2-Bromovinyl]-2-[[(3S)-4α-hydroxy-5β-(hydroxymethyl)tetrahydrothiophene-3β-yl]oxy]pyrimidine-4(3H)-one
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