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CHEBI:105313 - 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

ChEBI IDCHEBI:105313
ChEBI Name2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
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FormulaC20H19BrN4OS
Net Charge0
Average Mass443.370
Monoisotopic Mass442.04629
SMILESN#CC1=C(N)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)C12CCCCC2
InChIInChI=1S/C20H19BrN4OS/c21-14-6-4-13(5-7-14)17(26)12-27-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(24)25-19/h4-7,25H,1-3,8-9,12,24H2
InChIKeyLNGPKGVQSMWPND-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CHEBI:105313) is a aromatic ketone (CHEBI:76224)
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LSM-16676LINCS