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CHEBI:109642 - 7-[(4-bromophenyl)-(6-hydroxy-8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-6-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one

ChEBI IDCHEBI:109642
ChEBI Name7-[(4-bromophenyl)-(6-hydroxy-8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-6-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one
Stars
DownloadsMolfile
FormulaC21H19BrN4O4S2
Net Charge0
Average Mass535.445
Monoisotopic Mass534.00311
SMILESO=c1nc2n(c(O)c1C(c1ccc(Br)cc1)c1c(O)n3c(nc1=O)SCCC3)CCCS2
InChIInChI=1S/C21H19BrN4O4S2/c22-12-5-3-11(4-6-12)13(14-16(27)23-20-25(18(14)29)7-1-9-31-20)15-17(28)24-21-26(19(15)30)8-2-10-32-21/h3-6,13,29-30H,1-2,7-10H2
InChIKeyQAGOOCTUPJKWCS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-[(4-bromophenyl)-(6-hydroxy-8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-6-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one (CHEBI:109642) is a aryl sulfide (CHEBI:35683)
Manual XrefsDatabases
LSM-21070LINCS