Chem
J-GLOBAL ID：200907063070620784   Nikkaji number：J732.114G

1-(2-Deoxy-4-thio-β-D-erythro-pentofuranosyl)-5-(2,2,2-trifluoroethyl)uracil

1-(2-デオキシ-4-チオ-β-D-erythro-ペントフラノシル)-5-(2,2,2-トリフルオロエチル)ウラシル
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： C11H13F3N2O4S
Molecular formula furigana： C11-H13-F3-N2-O4-S
Molecular weight： 326.290
InChI： InChI=1S/C11H13F3N2O4S/c12-11(13,14)2-5-3-16(10(20)15-9(5)19)8-1-6(18)7(4-17)21-8/h3,6-8,17-18H,1-2,4H2,(H,15,19,20)/t6-,7+,8+/m0/s1
InChI key： PUZKEWARCWLCTF-XLPZGREQSA-N
SMILES： OC[C@H]1S[C@H](C[C@@H]1O)n1cc(CC(F)(F)F)c(=O)[nH]c1=O
Systematic name  (3)：
  • 1-(2-デオキシ-4-チオ-β-D-erythro-ペントフラノシル)-5-(2,2,2-トリフルオロエチル)ウラシル
  • 1-[(2R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)チオラン-2-イル]-5-(2,2,2-トリフルオロエチル)-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 1-(2-Deoxy-4-thio-β-D-erythro-pentofuranosyl)-5-(2,2,2-trifluoroethyl)uracil
Thsaurus map：
Thesaurus Map

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