EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H23N3O3S |
| Net Charge | 0 |
| Average Mass | 433.533 |
| Monoisotopic Mass | 433.14601 |
| SMILES | CCOC(=O)C(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 |
| InChI | InChI=1S/C24H23N3O3S/c1-4-30-24(28)16(2)31-23-21-20(17-8-6-5-7-9-17)14-27(22(21)25-15-26-23)18-10-12-19(29-3)13-11-18/h5-16H,4H2,1-3H3 |
| InChIKey | OACRKUQJSHASPK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester (CHEBI:120871) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32314 | LINCS |