Chem
J-GLOBAL ID：200907089479303038   Nikkaji number：J602.086K

1-Propyl-3-[2-[(bromoacetyl)oxy]propyl]-8-cyclopentylxanthine

1-プロピル-3-[2-[(ブロモアセチル)オキシ]プロピル]-8-シクロペンチルキサンチン
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： C18H25BrN4O4
Molecular formula furigana： C18-H25-BR-N4-O4
Molecular weight： 441.326
InChI： InChI=1S/C18H25BrN4O4/c1-3-8-22-17(25)14-16(21-15(20-14)12-6-4-5-7-12)23(18(22)26)10-11(2)27-13(24)9-19/h11-12H,3-10H2,1-2H3,(H,20,21)
InChI key： LTYRNKXCUTXKGC-UHFFFAOYSA-N
SMILES： CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1
Systematic name  (3)：
  • 1-プロピル-3-[2-[(ブロモアセチル)オキシ]プロピル]-8-シクロペンチルキサンチン
  • 1-(8-シクロペンチル-2,6-ジオキソ-1-プロピル-2,3,6,7-テトラヒドロ-1H-プリン-3-イル)プロパン-2-イル 2-ブロモアセタート
  • 1-(8-cyclopentyl-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-3-yl)propan-2-yl 2-bromoacetate
Other name (1)：
  • 1-Propyl-3-[2-[(bromoacetyl)oxy]propyl]-8-cyclopentylxanthine
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