Thiamine aldehyde
Molecular Formula:
C
12
H
15
N
4
OS
+
InChI:
InChI=1/C12H15N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)/q+1/f/h13H2
InChIKey:
InChIKey=YLTKXCQXTWMOIT-DLGLGFIGCV
SMILES:
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CC=O
Names:
C05856
Thiamine aldehyde
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]acetaldehyde
Registries:
PubChem CID 440815
PubChem ID 8149