pyrithiamine

Properties Image MNX_ID MNXM149173 reference metacycM:CPD-15777 formula C14H20N4O global charge 0 mol weight 260.341 InChIKey UZLPMHGCXVJFGY-UHFFFAOYSA-N InChI InChI=1S/C14H20N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,10,19H,5,7,9H2,1-2H3,(H2,15,16,17) SMILES CC1=NC=C(CN2C=CC=C(CCO)C2C)C(N)=N1 MNX internals InChI (mnx) InChI=1/C14H20N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,10,19H,5,7,9H2,1-2H3,(H2,15,16,17)/t10? SMILES (mnx) [CH3:1][CH:10]1[C:12]([CH2:5][CH2:7][OH:19])=[CH:4][CH:3]=[CH:6][N:18]1[CH2:9][C:13]1=[CH:8][N:16]=[C:11]([CH3:2])[NH:17][C:14]1=[NH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0