EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:111285 - 2-(1-iminoethyl)-4-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile

ChEBI IDCHEBI:111285
ChEBI Name2-(1-iminoethyl)-4-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile
Stars
DownloadsMolfile
FormulaC21H18N4O2S
Net Charge0
Average Mass390.468
Monoisotopic Mass390.11505
SMILESCC(=N)C(C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C21H18N4O2S/c1-13-7-9-15(10-8-13)25-20(27)16-5-3-4-6-18(16)24-21(25)28-12-19(26)17(11-22)14(2)23/h3-10,17,23H,12H2,1-2H3
InChIKeyZCFIIUPFTMHMFP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1-iminoethyl)-4-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile (CHEBI:111285) is a quinazolines (CHEBI:38530)
Manual XrefsDatabases
LSM-22741LINCS