Chem
J-GLOBAL ID：200907042644704879   Nikkaji number：J48.736H

8-(2-Pyrrolidinoethyl)thio-6-thiotheophylline

8-(2-ピロリジノエチル)チオ-6-チオテオフィリン
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： C13H19N5OS2
Molecular formula furigana： C13-H19-N5-O-S2
Molecular weight： 325.450
InChI： InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)
InChI key： KLAIFKHPSDRWRR-UHFFFAOYSA-N
SMILES： Cn1c2nc(SCCN3CCCC3)[nH]c2c(=S)n(C)c1=O
Systematic name  (4)：
  • 6,7-ジヒドロ-1,3-ジメチル-8-[(2-ピロリジノエチル)チオ]-6-チオキソ-1H-プリン-2(3H)-オン
  • 8-[[2-(1-ピロリジニル)エチル]チオ]-6,7-ジヒドロ-1,3-ジメチル-6-チオキソ-1H-プリン-2(3H)-オン
  • 1,3-ジメチル-8-{[2-(ピロリジン-1-イル)エチル]スルファニル}-6-スルファニリデン-2,3,6,7-テトラヒドロ-1H-プリン-2-オン
  • 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one
Other name (6)：
  • 8-(2-Pyrrolidinoethyl)thio-6-thiotheophylline
  • 8-(2-ピロリジノエチル)チオ-6-チオテオフィリン
  • 8-[(2-ピロリジノエチル)チオ]-6-チオテオフィリン
  • 8-[(2-Pyrrolidinoethyl)thio]-6-thiotheophylline
  • 6,7-Dihydro-1,3-dimethyl-8-[(2-pyrrolizinoethyl)thio]-6-thioxo-1H-purin-2(3H)-one
Show all
CAS registry number： 6559-86-0
Regulation number (1)：
  • XH6497800
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