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CHEBI:114428 - 3-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid

ChEBI IDCHEBI:114428
ChEBI Name3-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid
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DownloadsMolfile
FormulaC18H14N4O4S2
Net Charge0
Average Mass414.468
Monoisotopic Mass414.04565
SMILESO=C(O)CCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccsc2c1=O
InChIInChI=1S/C18H14N4O4S2/c23-14-9-11(19-13-3-1-2-6-21(13)14)10-28-18-20-12-5-8-27-16(12)17(26)22(18)7-4-15(24)25/h1-3,5-6,8-9H,4,7,10H2,(H,24,25)
InChIKeyVBIWUOXQQBXFOI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid (CHEBI:114428) is a pyridopyrimidine (CHEBI:38932)
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LSM-25889LINCS