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CHEBI:63955 - 2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine

Default Structure
ChEBI IDCHEBI:63955
ChEBI Name2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine
Stars
DefinitionThe arenesulfonate formed from 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine by loss of a proton from the 3-sulfoanilino moiety.
Last Modified22 March 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H7ClN5O3S
Net Charge-1
Average Mass300.707
Monoisotopic Mass299.99636
SMILESNc1nc(Cl)nc(Nc2cccc(S(=O)(=O)[O-])c2)n1
InChIInChI=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
InChIKeyINKDIXXCRXOUGO-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine (CHEBI:63955) is a arenesulfonate oxoanion (CHEBI:22713)
2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine (CHEBI:63955) is a diamino-1,3,5-triazine (CHEBI:38170)
2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine (CHEBI:63955) is conjugate base of 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine (CHEBI:63953)
Incoming Relation(s)
2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine (CHEBI:63953) is conjugate acid of 2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine (CHEBI:63955)
IUPAC Name 
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate
UniProt Name  Source
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonateUniProt
Citations