Chem
J-GLOBAL ID：200907063788063875   Nikkaji number：J2.025.857H

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

1-アリル-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： C21H25N5O3
Molecular formula furigana： C21-H25-N5-O3
Molecular weight： 395.463
InChI： InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)
InChI key： XFOWZKUTPKXWIE-UHFFFAOYSA-N
SMILES： CCCCn1c2nc(Cc3ccc(NC(=O)C)cc3)[nH]c2c(=O)n(CC=C)c1=O
Systematic name  (4)：
  • 1-アリル-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-アリル-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-2,6-ジオキソ-1-(プロパ-2-エン-1-イル)-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-2,6-dioxo-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)acetamide
Other name (2)：
  • 1-Allyl-3-butyl-8-[4-(acetylamino)benzyl]-1,2,3,6-tetrahydro-7H-purine-2,6-dione
  • 1-Allyl-3-butyl-8-[4-(acetylamino)benzyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Thsaurus map：
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