EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H11N3O3 |
| Net Charge | 0 |
| Average Mass | 257.249 |
| Monoisotopic Mass | 257.08004 |
| SMILES | CCOC(=O)c1cnc2nc3ccccc3n2c1=O |
| InChI | InChI=1S/C13H11N3O3/c1-2-19-12(18)8-7-14-13-15-9-5-3-4-6-10(9)16(13)11(8)17/h3-7H,2H2,1H3,(H,14,15) |
| InChIKey | DNWMITUKTNMJAZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester (CHEBI:114264) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25724 | LINCS |