Allithiamine
Molecular Formula:
C13H18N4O2S2
InChI: InChI=1/C13H18N4O2S2/c1-3-20-21-12(4-5-18)8-17(9-19)7-11-6-15-10(2)16-13(11)14/h3,6,8-9,18H,1,4-5,7H2,2H3,(H2,14,15,16)/b12-8+/f/h14H2
InChIKey: InChIKey=DXZBFWCUTNVBHB-SUDJFDKWDF
SMILES: CC1=NC=C(C(=N1)N)CN(C=C(CCO)SSC=C)C=O
Names:
Allithiamine
NSC369217
N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-2-ethenyldisulfanyl-4-hydroxy-but-1-enyl]formamide
Registries:
PubChem CID 5458875
PubChem ID 8141503
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