EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112191 - 4-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid ethyl ester

ChEBI IDCHEBI:112191
ChEBI Name4-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid ethyl ester
Stars
DownloadsMolfile
FormulaC21H18N4O4
Net Charge0
Average Mass390.399
Monoisotopic Mass390.13281
SMILESCCOC(=O)c1ccc(N2CC(=O)C(c3nc(=O)c4ccccc4n3)=C2N)cc1
InChIInChI=1S/C21H18N4O4/c1-2-29-21(28)12-7-9-13(10-8-12)25-11-16(26)17(18(25)22)19-23-15-6-4-3-5-14(15)20(27)24-19/h3-10H,2,11,22H2,1H3,(H,23,24,27)
InChIKeyKWBFCIXYDGLRJK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid ethyl ester (CHEBI:112191) is a pyrroline (CHEBI:23763)
Manual XrefsDatabases
LSM-23603LINCS