EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:114305 - 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
| Formula | C18H19N3O3S |
| Net Charge | 0 |
| Average Mass | 357.435 |
| Monoisotopic Mass | 357.11471 |
| SMILES | CCOC(=O)c1sc2nc(C)nc(Nc3ccc(OC)cc3)c2c1C |
| InChI | InChI=1S/C18H19N3O3S/c1-5-24-18(22)15-10(2)14-16(19-11(3)20-17(14)25-15)21-12-6-8-13(23-4)9-7-12/h6-9H,5H2,1-4H3,(H,19,20,21) |
| InChIKey | RBJVFMACBZBSHN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:114305) is a organic heterobicyclic compound (CHEBI:27171) |
| 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:114305) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:114305) is a organosulfur heterocyclic compound (CHEBI:38106) |
| 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:114305) is a thienopyrimidine (CHEBI:143212) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25765 | LINCS |