Chem
J-GLOBAL ID：200907006262463514   Nikkaji number：J602.082H

1,3-Dipropyl-8-[2-[[4-(fluorosulfonyl)benzoyl]amino]ethyl]xanthine

1,3-ジプロピル-8-[2-[[4-(フルオロスルホニル)ベンゾイル]アミノ]エチル]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： C20H24FN5O5S
Molecular formula furigana： C20-H24-F-N5-O5-S
Molecular weight： 465.500
InChI： InChI=1S/C20H24FN5O5S/c1-3-11-25-17-16(19(28)26(12-4-2)20(25)29)23-15(24-17)9-10-22-18(27)13-5-7-14(8-6-13)32(21,30)31/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24)
InChI key： PZMBKGJZSFEIOM-UHFFFAOYSA-N
SMILES： CCCn1c2nc(CCNC(=O)c3ccc(cc3)S(=O)(=O)F)[nH]c2c(=O)n(CCC)c1=O
Systematic name  (3)：
  • 1,3-ジプロピル-8-[2-[[4-(フルオロスルホニル)ベンゾイル]アミノ]エチル]キサンチン
  • 4-{[2-(2,6-ジオキソ-1,3-ジプロピル-2,3,6,7-テトラヒドロ-1H-プリン-8-イル)エチル]カルバモイル}ベンゼン-1-スルホニル フルオリド
  • 4-{[2-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl]carbamoyl}benzene-1-sulfonyl fluoride
Other name (1)：
  • 1,3-Dipropyl-8-[2-[[4-(fluorosulfonyl)benzoyl]amino]ethyl]xanthine
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