CHEBI:113031 - 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(2-fluorophenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(2-fluorophenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide
ChEBI ID CHEBI:113031
Stars This entity has been manually annotated by a third party.
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Formula C22H17FN4O5S
Net Charge 0
Average Mass 468.460
Monoisotopic Mass 468.09037
InChI InChI=1S/C22H17FN4O5S/c23-17-5-1-2-6-18(17)32-21-16(22(29)27-9-4-3-7-19(27)26-21)11-14(12-24)20(28)25-15-8-10-33(30,31)13-15/h1-7,9,11,15H,8,10,13H2,(H,25,28)
InChIKey BSFQJKYETXNHQK-UHFFFAOYSA-N
SMILES C1CS(=O)(=O)CC1NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC=C4F)C#N
ChEBI Ontology
Outgoing 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(2-fluorophenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide (CHEBI:113031) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-24441 LINCS
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