EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108934 - 5-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one

ChEBI IDCHEBI:108934
ChEBI Name5-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one
Stars
DownloadsMolfile
FormulaC18H11N3O3S2
Net Charge0
Average Mass381.438
Monoisotopic Mass381.02418
SMILESO=c1nc(-c2ccc3c(c2)OCO3)nc2c1sc(=S)n2-c1ccccc1
InChIInChI=1S/C18H11N3O3S2/c22-17-14-16(21(18(25)26-14)11-4-2-1-3-5-11)19-15(20-17)10-6-7-12-13(8-10)24-9-23-12/h1-8H,9H2,(H,19,20,22)
InChIKeyOVLHHZKMWPBWGJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one (CHEBI:108934) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-20332LINCS