EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H13F2N3OS |
| Net Charge | 0 |
| Average Mass | 345.374 |
| Monoisotopic Mass | 345.07474 |
| SMILES | Cc1cc2c(s1)c1cnn(Cc3ccc(F)cc3F)c(=O)c1n2C |
| InChI | InChI=1S/C17H13F2N3OS/c1-9-5-14-16(24-9)12-7-20-22(17(23)15(12)21(14)2)8-10-3-4-11(18)6-13(10)19/h3-7H,8H2,1-2H3 |
| InChIKey | WPYJTJIDVZJTNR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[(2,4-difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone (CHEBI:93226) is a organic heterobicyclic compound (CHEBI:27171) |
| 6-[(2,4-difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone (CHEBI:93226) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| 6-[(2,4-difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone (CHEBI:93226) is a organosulfur heterocyclic compound (CHEBI:38106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3562 | LINCS |