heteropyrithiamine

Properties Image MNX_ID MNXM4226 reference chebi:11222 formula C11H13N4 global charge 1 mol weight 201.253 InChIKey SPQICHFDXHERAC-UHFFFAOYSA-N InChI InChI=1S/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1 SMILES CC1=NC=C(C[N+]2=CC=CC=C2)C(N)=N1 MNX internals InChI (mnx) InChI=1/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1 SMILES (mnx) [CH3:1][C:9]1=[N:13][CH:7]=[C:10]([CH2:8][N+:15]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[C:11](=[NH:12])[NH:14]1

Parent-child relations graph

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