Chem
J-GLOBAL ID：200907034531791462   Nikkaji number：J401.130I

1,3-Dipropyl-7-benzylxanthine

1,3-ジプロピル-7-ベンジルキサンチン
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： C18H22N4O2
Molecular formula furigana： C18-H22-N4-O2
Molecular weight： 326.400
InChI： InChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)20(13-19-16)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChI key： VUCFOFXDFGNTRU-UHFFFAOYSA-N
SMILES： CCCn1c2ncn(Cc3ccccc3)c2c(=O)n(CCC)c1=O
Systematic name  (3)：
  • 1,3-ジプロピル-7-ベンジルキサンチン
  • 7-ベンジル-1,3-ジプロピル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 7-benzyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1,3-Dipropyl-7-benzylxanthine
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