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CHEBI:22472 - ametryn

ChEBI IDCHEBI:22472
ChEBI Nameametryn
Stars
DefinitionA methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by an ethylamino and an isopropylamino group at positions 4 and 6 respectively.
Last Modified5 March 2019
DownloadsMolfile
FormulaC9H17N5S
Net Charge0
Average Mass227.337
Monoisotopic Mass227.12047
SMILESCCNc1nc(NC(C)C)nc(SC)n1
InChIInChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyRQVYBGPQFYCBGX-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
ametryn (CHEBI:22472) has role environmental contaminant (CHEBI:78298)
ametryn (CHEBI:22472) has role herbicide (CHEBI:24527)
ametryn (CHEBI:22472) is a diamino-1,3,5-triazine (CHEBI:38170)
ametryn (CHEBI:22472) is a methylthio-1,3,5-triazine (CHEBI:38174)
IUPAC Name 
N2-ethyl-N4-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
Synonyms  Source
N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamineIUPAC
ametryneChemIDplus
N-ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamineNIST Chemistry WebBook
ametrynUM-BBD
N-ethyl-N'-(1-methylethyl)-6-(methylthio)-2,4-diaminetriazineUM-BBD
2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazineNIST Chemistry WebBook
Manual XrefsDatabases
c0260UM-BBD
C18700KEGG COMPOUND
RYNPDBeChem
27PPDB
ametrynAlan Wood's Pesticides
CPD-9343MetaCyc
Registry NumbersSources
Reaxys:613099Reaxys
CAS:834-12-8ChemIDplus
CAS:834-12-8NIST Chemistry WebBook
CAS:834-12-8KEGG COMPOUND
Citations