CAFFEINE, 8-((2-(DIMETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE
Molecular Formula:
C
12
H
20
ClN
5
O
2
S
InChI:
InChI=1/C12H19N5O2S.ClH/c1-14(2)6-7-20-11-13-9-8(15(11)3)10(18)17(5)12(19)16(9)4;/h6-7H2,1-5H3;1H/fC12H20N5O2S.Cl/h14H;1h/q+1;-1
InChIKey:
InChIKey=WBLULWILRWOFRZ-AEYRNMJWCW
SMILES:
CN1C2=C(N=C1SCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]
Names:
CAFFEINE, 8-((2-(DIMETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE
dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]azanium chloride
24851-37-4
8-((2-(Dimethylamino)ethyl)thio)caffeine hydrochloride
Registries:
PubChem CID 32713
PubChem ID 174637