Chem
J-GLOBAL ID：200907060911478148   Nikkaji number：J1.912.705B

[(S)-1-(Thymine-1-ylmethyl)-3-hydroxypropyl]carbamic acid tert-butyl ester

[(S)-1-(チミン-1-イルメチル)-3-ヒドロキシプロピル]カルバミン酸tert-ブチル
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： C14H23N3O5
Molecular formula furigana： C14-H23-N3-O5
Molecular weight： 313.354
InChI： InChI=1S/C14H23N3O5/c1-9-7-17(12(20)16-11(9)19)8-10(5-6-18)15-13(21)22-14(2,3)4/h7,10,18H,5-6,8H2,1-4H3,(H,15,21)(H,16,19,20)/t10-/m0/s1
InChI key： FFUBDGYEOSQGFC-JTQLQIEISA-N
SMILES： Cc1cn(C[C@H](CCO)NC(=O)OC(C)(C)C)c(=O)[nH]c1=O
Systematic name  (3)：
  • [(S)-1-(チミン-1-イルメチル)-3-ヒドロキシプロピル]カルバミン酸tert-ブチル
  • tert-ブチル N-[(2S)-4-ヒドロキシ-1-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)ブタン-2-イル]カルバマート
  • tert-butyl N-[(2S)-4-hydroxy-1-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)butan-2-yl]carbamate
Other name (1)：
  • [(S)-1-(Thymine-1-ylmethyl)-3-hydroxypropyl]carbamic acid tert-butyl ester
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