Chem
J-GLOBAL ID：200907001040841543   Nikkaji number：J841.594C

[(3Z)-4-(6-Amino-9H-purin-9-yl)-4-fluoro-3-buten-1-ynyl]phosphonic acid diethyl ester

[(3Z)-4-(6-アミノ-9H-プリン-9-イル)-4-フルオロ-3-ブテン-1-イニル]ホスホン酸ジエチル
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： C13H15FN5O3P
Molecular formula furigana： C13-H15-F-N5-O3-P
Molecular weight： 339.267
InChI： InChI=1S/C13H15FN5O3P/c1-3-21-23(20,22-4-2)7-5-6-10(14)19-9-18-11-12(15)16-8-17-13(11)19/h6,8-9H,3-4H2,1-2H3,(H2,15,16,17)/b10-6+
InChI key： ZSYWXQCOKNFSLY-UXBLZVDNSA-N
SMILES： CCOP(=O)(OCC)C#C/C=C(\F)/n1cnc2c(N)ncnc12
Systematic name  (3)：
  • [(3Z)-4-(6-アミノ-9H-プリン-9-イル)-4-フルオロ-3-ブテン-1-イニル]ホスホン酸ジエチル
  • ジエチル [(3Z)-4-(6-アミノ-9H-プリン-9-イル)-4-フルオロブタ-3-エン-1-イン-1-イル]ホスホナート
  • diethyl [(3Z)-4-(6-amino-9H-purin-9-yl)-4-fluorobut-3-en-1-yn-1-yl]phosphonate
Other name (1)：
  • [(3Z)-4-(6-Amino-9H-purin-9-yl)-4-fluoro-3-buten-1-ynyl]phosphonic acid diethyl ester
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