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
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