Chem
J-GLOBAL ID：200907064508127659   Nikkaji number：J2.025.863B

1-(2-Fluorobenzyl)-3-butyl-8-[4-(acetylamino)benzyl]-1,2,3,6-tetrahydro-7H-purine-2,6-dione

1-(2-フルオロベンジル)-3-ブチル-8-[4-(アセチルアミノ)ベンジル]-1,2,3,6-テトラヒドロ-7H-プリン-2,6-ジオン
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： C25H26FN5O3
Molecular formula furigana： C25-H26-F-N5-O3
Molecular weight： 463.513
InChI： InChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
InChI key： JHSHXKJSPVHPCJ-UHFFFAOYSA-N
SMILES： CCCCn1c2nc(Cc3ccc(NC(=O)C)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O
Systematic name  (4)：
  • 1-(2-フルオロベンジル)-3-ブチル-8-[4-(アセチルアミノ)ベンジル]-1,2,3,6-テトラヒドロ-7H-プリン-2,6-ジオン
  • 1-(2-フルオロベンジル)-3-ブチル-8-[4-(アセチルアミノ)ベンジル]-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • N-[4-({3-ブチル-1-[(2-フルオロフェニル)メチル]-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン-8-イル}メチル)フェニル]アセトアミド
  • N-[4-({3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)phenyl]acetamide
Other name (2)：
  • 1-(2-Fluorobenzyl)-3-butyl-8-[4-(acetylamino)benzyl]-1,2,3,6-tetrahydro-7H-purine-2,6-dione
  • 1-(2-Fluorobenzyl)-3-butyl-8-[4-(acetylamino)benzyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Thsaurus map：
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