CHEBI:44156 - terbutryn

ChEBI IDCHEBI:44156
ChEBI Nameterbutryn
Stars
DefinitionA methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively.
Secondary ChEBI IDsCHEBI:26867, CHEBI:44152
Last Modified4 November 2014
DownloadsMolfile
FormulaC10H19N5S
Net Charge0
Average Mass241.364
Monoisotopic Mass241.13612
SMILESCCNc1nc(NC(C)(C)C)nc(SC)n1
InChIInChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
InChIKeyIROINLKCQGIITA-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).
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
terbutryn (CHEBI:44156) has role environmental contaminant (CHEBI:78298)
terbutryn (CHEBI:44156) has role herbicide (CHEBI:24527)
terbutryn (CHEBI:44156) has role xenobiotic (CHEBI:35703)
terbutryn (CHEBI:44156) is a diamino-1,3,5-triazine (CHEBI:38170)
terbutryn (CHEBI:44156) is a methylthio-1,3,5-triazine (CHEBI:38174)
IUPAC Name 
N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
Synonyms  Source
2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazineChEBI
N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamineChEBI
TerbutryneChemIDplus
2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINEPDBeChem
terbutrynUM-BBD
2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)triazineUM-BBD
Manual XrefsDatabases
c0256UM-BBD
MSTPDBeChem
DB08215DrugBank
C18811KEGG COMPOUND
terbutrynAlan Wood's Pesticides
624PPDB
Registry NumbersSources
Beilstein:611817Beilstein
Reaxys:611817Reaxys
CAS:886-50-0ChemIDplus
CAS:886-50-0NIST Chemistry WebBook
CAS:886-50-0KEGG COMPOUND
Citations