{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","ns1":"http://purl.obolibrary.org/obo#","metadata_def":"http://data.bioontology.org/metadata/def/","ns2":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_15930","@type":"owl:Class","rdfs:subClassOf":{"@id":"obo_purl:CHEBI_24532"},"rdfs:label":"atrazine","skos:notation":"CHEBI:15930","obo_purl:IAO_0000115":"A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group.","oboinowl_gen:hasExactSynonym":["atrazine","Atrazine","6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine"],"oboinowl_gen:hasDbXref":["CAS:1912-24-9","DrugBank:DB07392","HMDB:HMDB0041830","KEGG:C06551","LINCS:LSM-18990","MetaCyc:ATRAZINE","PDBeChem:ATZ","PMID:24211529","PMID:24239819","PMID:24246238","PPDB:43","Reaxys:612020","UM-BBD_compID:c0002","Wikipedia:Atrazine","NCIt:C26311","SNOMEDCT:85612002","MESH:D001280"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:15930","oboinowl_gen:inSubset":{"@id":"ns0:3_STAR"},"ns1:has_role":{"@id":"obo_purl:CHEBI_33286"},"metadata_def:prefLabel":"atrazine","oboinowl_gen:hasRelatedSynonym":["2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine","2-chloro-4-ethylamino-6-isopropylamino-s-triazine","2-ethylamino-4-isopropylamino-6-chloro-s-triazine","2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine","6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine","2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE","6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine"],"metadata_def:mappingLoom":"atrazine","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_15930"},"oboinowl_gen:hasAlternativeId":["CHEBI:13865","CHEBI:22672","CHEBI:2916","CHEBI:49479"],"ns2:charge":"0","ns2:formula":"C8H14ClN5","ns2:inchi":"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)","ns2:inchikey":"MXWJVTOOROXGIU-UHFFFAOYSA-N","ns2:mass":"215.68316","ns2:monoisotopicmass":"215.09377","ns2:smiles":"CCNc1nc(Cl)nc(NC(C)C)n1"}