EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:107169 - 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester

ChEBI IDCHEBI:107169
ChEBI Name5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC16H15N3O4S
Net Charge0
Average Mass345.380
Monoisotopic Mass345.07833
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)sc(C)c12
InChIInChI=1S/C16H15N3O4S/c1-8-11-12(14(17)24-8)15(20)19(18-13(11)16(21)23-3)9-4-6-10(22-2)7-5-9/h4-7H,17H2,1-3H3
InChIKeyJXAGWNZVOPQTCZ-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)
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester (CHEBI:107169) is a aromatic amine (CHEBI:33860)
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester (CHEBI:107169) is a thiophenes (CHEBI:26961)
Manual XrefsDatabases
LSM-18523LINCS