CAFFEINE, 8-((3-(DIMETHYLAMINO)PROPYL)THIO)-, HYDROCHLORIDE
Molecular Formula:
C
13
H
22
ClN
5
O
2
S
InChI:
InChI=1/C13H21N5O2S.ClH/c1-15(2)7-6-8-21-12-14-10-9(16(12)3)11(19)18(5)13(20)17(10)4;/h6-8H2,1-5H3;1H/fC13H22N5O2S.Cl/h15H;1h/q+1;-1
InChIKey:
InChIKey=UTGUENHLJOBSTO-XBJLVWETCO
SMILES:
CN1C2=C(N=C1SCCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]
Names:
CAFFEINE, 8-((3-(DIMETHYLAMINO)PROPYL)THIO)-, HYDROCHLORIDE
dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]azanium chloride
24851-39-6
8-((3-(Dimethylamino)propyl)thio)caffeine hydrochloride
Registries:
PubChem CID 32717
PubChem ID 174639