Chem
J-GLOBAL ID：201007083519277348   Nikkaji number：J2.784.890G

2′α,4′-(Iminocarbonyliminomethylene)thymidine

2′α,4′-(イミノカルボニルイミノメチレン)チミジン
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： C12H16N4O6
Molecular formula furigana： C12-H16-N4-O6
Molecular weight： 312.282
InChI： InChI=1S/C12H16N4O6/c1-5-2-16(11(21)15-8(5)19)9-6-7(18)12(4-17,22-9)3-13-10(20)14-6/h2,6-7,9,17-18H,3-4H2,1H3,(H2,13,14,20)(H,15,19,21)/t6-,7+,9-,12-/m1/s1
InChI key： HZRYRSXIRHZFNW-MCOZSMFQSA-N
SMILES： Cc1cn([C@@H]2O[C@@]3(CO)CNC(=O)N[C@@H]2[C@@H]3O)c(=O)[nH]c1=O
Systematic name  (3)：
  • 2′α,4′-(イミノカルボニルイミノメチレン)チミジン
  • 1-[(1R,6R,8R,9S)-9-ヒドロキシ-6-(ヒドロキシメチル)-3-オキソ-7-オキサ-2,4-ジアザビシクロ[4.2.1]ノナン-8-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(1R,6R,8R,9S)-9-hydroxy-6-(hydroxymethyl)-3-oxo-7-oxa-2,4-diazabicyclo[4.2.1]nonan-8-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 2′α,4′-(Iminocarbonyliminomethylene)thymidine
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