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HIT212718437
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HIT212718437
  • HIT ID:HIT212718437
  • Cas No:96313-22-3
  • 常用名:Theophylline, 7-(2-(diethylamino)ethyl)-6-thio-, hydrochloride
    常用名:Theophylline, 7-(2-(diethylamino)ethyl)-6-thio-, hydrochloride
  • IUPAC:7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one hydrochloride
    IUPAC:7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one hydrochloride
  • InChI key:SMICGDCJGFXMKD-UHFFFAOYSA-N
  • 分子式:C13H22ClN5OS
  • 分子量:331.86
  • 氢键供体数 (HBD):0
  • 氢键受体数 (HBA):3
  • LogP:1.0764844
  • SMILES:Cl.CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=S)c12
    SMILES:Cl.CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=S)c12
  • Theophylline, 7-(2-(diethylamino)ethyl)-6-thio-, hydrochloride is a bioactive chemical.
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