CHEBI:34976 - simetryn

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ChEBI Name simetryn ChEBI ID CHEBI:34976 Definition A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a methylthio group at position 6. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H15N5S Net Charge 0 Average Mass 213.30440 Monoisotopic Mass 213.10482 InChI InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) InChIKey MGLWZSOBALDPEK-UHFFFAOYSA-N SMILES CCNc1nc(NCC)nc(SC)n1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Application(s): herbicide A substance used to destroy plant pests. View more via ChEBI Ontology ChEBI Ontology Outgoing simetryn (CHEBI:34976) has role herbicide (CHEBI:24527) simetryn (CHEBI:34976) is a diamino-1,3,5-triazine (CHEBI:38170) simetryn (CHEBI:34976) is a methylthio-1,3,5-triazine (CHEBI:38174) IUPAC Name N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine Synonyms Sources 2,4-bis(ethylamino)-6-(methylthio)-s-triazine ChemIDplus 2,4-bis(ethylamino)-6-methylthio-1,3,5-triazine ChemIDplus 2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine KEGG COMPOUND 2-methylthio-4,6-bis(ethylamino)-1,3,5-triazine NIST Chemistry WebBook 2-methylthio-4,6-bis(ethylamino)-s-triazine ChemIDplus Gy-Bon NIST Chemistry WebBook N,N'-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine NIST Chemistry WebBook N2,N4-diethyl-6-methylthio-1,3,5-triazine-2,4-diamine ChemIDplus Simetryn KEGG COMPOUND Manual Xrefs Databases 1295 PPDB C14457 KEGG COMPOUND View more database links Registry Numbers Types Sources 1014-70-6 CAS Registry Number KEGG COMPOUND 1014-70-6 CAS Registry Number NIST Chemistry WebBook 1014-70-6 CAS Registry Number ChemIDplus 11728 Beilstein Registry Number Beilstein 11728 Reaxys Registry Number Reaxys Citations Types Sources 15091533 PubMed citation Europe PMC 15969481 PubMed citation Europe PMC 19277442 PubMed citation Europe PMC 20537391 PubMed citation Europe PMC 23597675 PubMed citation Europe PMC Last Modified 13 May 2014