Annotation Hits
N
Screening or library annotations
Compound
diacetylthiamine
Synonyms
Acetiamine
In
2 lists
NSID
NS00179992
SMILES
CC(=O)OCC/C(SC(C)=O)=C(/C)N(Cc1cnc(C)nc1N)C=O
InChI
InChI=1S/C16H22N4O4S/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19)
InChIKey
ISIPQAHMLLFSFR-UHFFFAOYSA-N
CAS Number
299-89-8
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
Loading…
Patent stripe
Loading…
3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).