EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N4O5 |
| Net Charge | 0 |
| Average Mass | 358.354 |
| Monoisotopic Mass | 358.12772 |
| SMILES | COc1ccccc1NC(=O)CC1C(=O)Nc2c1c(=O)n(C)c(=O)n2C |
| InChI | InChI=1S/C17H18N4O5/c1-20-14-13(16(24)21(2)17(20)25)9(15(23)19-14)8-12(22)18-10-6-4-5-7-11(10)26-3/h4-7,9H,8H2,1-3H3,(H,18,22)(H,19,23) |
| InChIKey | LAFVQHDPCXQYIG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide (CHEBI:109709) is a pyrrolopyrimidine (CHEBI:38670) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21137 | LINCS |