CAFFEINE, 8-((2-AMINOETHYL)THIO)-, HYDROCHLORIDE

Molecular Formula: C₁₀H₁₆ClN₅O₂S

InChI: InChI=1/C10H15N5O2S.ClH/c1-13-6-7(12-9(13)18-5-4-11)14(2)10(17)15(3)8(6)16;/h4-5,11H2,1-3H3;1H/fC10H16N5O2S.Cl/h13H;1h/q+1;-1

InChIKey: InChIKey=XDSQTJVLFVIROK-YKWDVRHDCR
SMILES: C[NH+]1C2=C(N=C1SCCN)N(C(=O)N(C2=O)C)C.[Cl-]

Names:
    CAFFEINE, 8-((2-AMINOETHYL)THIO)-, HYDROCHLORIDE
    1H-Purine-2,6-dione, 3,7-dihydro-8-((2-aminoethyl)thio)-1,3,7-trimethyl-, hydrochloride
    6493-25-0
    8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione chloride

Registries:
    PubChem CID 22995
    PubChem ID 165574