8-(beta-Hydroxyethylmercapto)caffeine hydrochloride

Molecular Formula: C₁₀H₁₅ClN₄O₃S

InChI: InChI=1/C10H14N4O3S.ClH/c1-12-6-7(11-9(12)18-5-4-15)13(2)10(17)14(3)8(6)16;/h15H,4-5H2,1-3H3;1H/fC10H15N4O3S.Cl/h12H;1h/q+1;-1

InChIKey: InChIKey=ZGRRBICBPANSIR-CINFTTDPCF
SMILES: C[NH+]1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C.[Cl-]

Names:
    CAFFEINE, 8-((2-HYDROXYETHYL)THIO)-, HYDROCHLORIDE
    56223-60-0
    8-(beta-Hydroxyethylmercapto)caffeine hydrochloride
    8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione chloride

Registries:
    PubChem CID 41791
    PubChem ID 182458