Chem
J-GLOBAL ID:200907049653726863   Nikkaji number:J277.233G

3′-(4-Nitro-1H-1,2,3-triazol-1-yl)-3′-deoxythymidine

3′-(4-ニトロ-1H-1,2,3-トリアゾール-1-イル)-3′-デオキシチミジン
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: C12H14N5[N+]O5[O-]
Molecular formula furigana: C12-H14-N6-O6
Molecular weight: 338.280
InChI: InChI=1S/C12H14N6O6/c1-6-3-16(12(21)13-11(6)20)10-2-7(8(5-19)24-10)17-4-9(14-15-17)18(22)23/h3-4,7-8,10,19H,2,5H2,1H3,(H,13,20,21)/t7-,8+,10+/m0/s1
InChI key: OGSGQFBGUWCFKE-QXFUBDJGSA-N
SMILES: Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)[N+](=O)[O-])c(=O)[nH]c1=O
Systematic name  (3):
  • 3′-(4-ニトロ-1H-1,2,3-トリアゾール-1-イル)-3′-デオキシチミジン
  • 1-[(2R,4S,5S)-5-(ヒドロキシメチル)-4-(4-ニトロ-1H-1,2,3-トリアゾール-1-イル)オキソラン-2-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-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-nitro-1H-1,2,3-triazol-1-yl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • 3′-(4-Nitro-1H-1,2,3-triazol-1-yl)-3′-deoxythymidine
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