CAFFEINE, 8-((3-AMINOPROPYL)THIO)-, HYDROCHLORIDE

Molecular Formula: C11H18ClN5O2S


InChI: InChI=1/C11H17N5O2S.ClH/c1-14-7-8(13-10(14)19-6-4-5-12)15(2)11(18)16(3)9(7)17;/h4-6,12H2,1-3H3;1H/fC11H18N5O2S.Cl/h14H;1h/q+1;-1

InChIKey: InChIKey=RVVCOIMRDPWDGY-OXUKABAJCV
SMILES: C[NH+]1C2=C(N=C1SCCCN)N(C(=O)N(C2=O)C)C.[Cl-]

Names:
    CAFFEINE, 8-((3-AMINOPROPYL)THIO)-, HYDROCHLORIDE
    1H-Purine-2,6-dione, 3,7-dihydro-8-((3-aminopropyl)thio)-1,3,7-trimethyl-, hydrochloride
    56223-59-7
    8-((3-Aminopropyl)thio)caffeine hydrochloride
    8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione chloride

Registries:
    PubChem CID 41789
    PubChem ID 182457