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3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate

MNXM14508 is deprecated and here replaced by MNXM1101915
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101915

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₉H₇ClN₅O₃S

charge

-1

mass

299.99636

reference

InChIKey

INKDIXXCRXOUGO-UHFFFAOYSA-M

InChI

InChI=1S/C9H8ClN5O3S/c10-7-13-8(11)15-9(14-7)12-5-2-1-3-6(4-5)19(16,17)18/h1-4H,(H,16,17,18)(H3,11,12,13,14,15)/p-1

SMILES

Nc1nc(Cl)nc(Nc2cccc(S(=O)(=O)[O-])c2)n1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63955 chebi:63955	3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate 2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine
CHEBI:63953 chebi:63953	2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
sabiork.compound:30183 sabiorkM:30183	3-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)benzenesulfonate
kegg.compound:C20939 keggC:C20939	3-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate
metacyc.compound:CPD-13993 metacycM:CPD-13993 seed.compound:cpd24118 seedM:cpd24118	3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate
keggC:M_C20939 seedM:M_cpd24118	secondary/obsolete/fantasy identifier