Chem
J-GLOBAL ID：200907058723086670   Nikkaji number：J732.115E

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

1-(2-デオキシ-4-チオ-β-D-erythro-ペントフラノシル)-5-(2,2-ジフルオロエテニル)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： C11H12F2N2O4S
Molecular formula furigana： C11-H12-F2-N2-O4-S
Molecular weight： 306.280
InChI： InChI=1S/C11H12F2N2O4S/c12-8(13)1-5-3-15(11(19)14-10(5)18)9-2-6(17)7(4-16)20-9/h1,3,6-7,9,16-17H,2,4H2,(H,14,18,19)/t6-,7+,9+/m0/s1
InChI key： JHANSEIWJFWGNA-LKEWCRSYSA-N
SMILES： OC[C@H]1S[C@H](C[C@@H]1O)n1cc(C=C(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-ジフルオロエテニル)ウラシル
  • 5-(2,2-ジフルオロエテニル)-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]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 5-(2,2-difluoroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 1-(2-Deoxy-4-thio-β-D-erythro-pentofuranosyl)-5-(2,2-difluoroethenyl)uracil
Thsaurus map：
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