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CHEBI:228392 - 4-ethoxy-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine

ChEBI IDCHEBI:228392
ChEBI Name4-ethoxy-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13N3OS
Net Charge0
Average Mass259.334
Monoisotopic Mass259.07793
SMILESCCOc1ncnc2c1sc1nc(C)cc(C)c12
InChIInChI=1S/C13H13N3OS/c1-4-17-12-11-10(14-6-15-12)9-7(2)5-8(3)16-13(9)18-11/h5-6H,4H2,1-3H3
InChIKeySOOIODBNUUYWGS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
4-ethoxy-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CHEBI:228392) is a organic heterobicyclic compound (CHEBI:27171)
4-ethoxy-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CHEBI:228392) is a organonitrogen heterocyclic compound (CHEBI:38101)
4-ethoxy-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CHEBI:228392) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
6-ethoxy-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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2094449ChemSpider