Search MNXref
 Feedback

S-methylazathioprine

PropertiesImage
MNX_IDMNXM160936 Image of MNXM160936
referencechebi:174774
formulaC10H10N7O2S
global charge1
mol weight292.304
InChIKeyCAGKKYGOGIIIDP-UHFFFAOYSA-N
InChIInChI=1S/C10H10N7O2S/c1-16-5-15-8(17(18)19)10(16)20(2)9-6-7(12-3-11-6)13-4-14-9/h3-5H,1-2H3,(H,11,12,13,14)/q+1
SMILESCN1C=NC([N+](=O)[O-])=C1[S+](C)C1=C2NC=NC2=NC=N1
MNX internals
InChI (mnx)InChI=1/C10H10N7O2S/c1-16-5-15-8(17(18)19)10(16)20(2)9-6-7(12-3-11-6)13-4-14-9/h3-5H,1-2H3,(H,11,12,13,14)/q+1/t20? Image of MNXM160936
SMILES (mnx)[CH3:1][N:16]1[CH:5]=[N:15][C:8]([N+:17]([O-:18])=[O:19])=[C:10]1[S+:20]([CH3:2])[C:9]1=[N:14][CH:4]=[N:13][C:7]2=[C:6]1[N:11]=[CH:3][NH:12]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174774
chebi:174774
CAGKKYGOGIIIDP-UHFFFAOYSA-N 		S-methylazathioprine
methyl-(3-methyl-5-nitroimidazol-4-yl)-(7H-purin-6-yl)sulanium
hmdb:HMDB0061068
CAGKKYGOGIIIDP-UHFFFAOYSA-N 		S-methylazathioprine
methyl(1-methyl-4-nitro-1H-imidazol-5-yl)9H-purin-6-ylsulfanium
methyl(3-methyl-5-nitroimidazol-4-yl)9H-purin-6-ylsulfanium

hmdb:HMDB61068 		secondary/obsolete/fantasy identifier