EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94974 - 5-(1,3-benzodioxol-5-yl)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:94974
ChEBI Name5-(1,3-benzodioxol-5-yl)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC24H18Br2N2O6S
Net Charge0
Average Mass622.291
Monoisotopic Mass619.92523
SMILESCCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1ccc2c(c1)OCO2
InChIInChI=1S/C24H18Br2N2O6S/c1-3-32-23(31)19-11(2)27-24-28(20(19)13-4-5-16-17(9-13)34-10-33-16)22(30)18(35-24)8-12-6-14(25)21(29)15(26)7-12/h4-9,20,29H,3,10H2,1-2H3
InChIKeyBFPUTOLDOXKQRH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(1,3-benzodioxol-5-yl)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:94974) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-6194LINCS