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CHEBI:114621 - 4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile

ChEBI IDCHEBI:114621
ChEBI Name4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
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FormulaC17H19N3O2S
Net Charge0
Average Mass329.425
Monoisotopic Mass329.11980
SMILESCOc1ccc(N2C(S)=C(C#N)C(=O)NC23CCCCC3)cc1
InChIInChI=1S/C17H19N3O2S/c1-22-13-7-5-12(6-8-13)20-16(23)14(11-18)15(21)19-17(20)9-3-2-4-10-17/h5-8,23H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyZBNBGBHHMXWEFC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile (CHEBI:114621) is a methoxybenzenes (CHEBI:51683)
4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile (CHEBI:114621) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-26083LINCS