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S-methylazathioprine

Properties

Image

Occurences in reactions

MNX_ID

MNXM160936

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

formula

C₁₀H₁₀N₇O₂S

charge

mass

292.06112

reference

InChIKey

CAGKKYGOGIIIDP-UHFFFAOYSA-N

InChI

InChI=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

SMILES

Cn1cnc([N+](=O)[O-])c1[S+](C)c1ncnc2nc[nH]c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174774 chebi:174774	S-methylazathioprine methyl-(3-methyl-5-nitroimidazol-4-yl)-(7H-purin-6-yl)sulanium
hmdb:HMDB0061068	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