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CHEBI:170049 - Imidazosagatriazinone

ChEBI IDCHEBI:170049
ChEBI NameImidazosagatriazinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20N4O2
Net Charge0
Average Mass312.373
Monoisotopic Mass312.15863
SMILESCCCc1nn(C)c2c(=O)nc(-c3ccccc3OCC)nc12
InChIInChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
InChIKeyMXQUEDUMKWBYHI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
ChEBI Ontology
Outgoing Relation(s)
Imidazosagatriazinone (CHEBI:170049) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
5-(2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Manual XrefsDatabases
787185ChemSpider
Registry NumbersSources
CAS:139756-21-1ChemIDplus