EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H14N5O2 |
| Net Charge | +1 |
| Average Mass | 224.244 |
| Monoisotopic Mass | 224.11420 |
| SMILES | OCCOCCNc1[nH+]cnc2ncnc12 |
| InChI | InChI=1S/C9H13N5O2/c15-2-4-16-3-1-10-8-7-9(12-5-11-7)14-6-13-8/h5-6,15H,1-4H2,(H2,10,11,12,13,14)/p+1 |
| InChIKey | UYXHZMSJRMCVFC-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-16966 (CHEBI:105603) is a thiopurine (CHEBI:35666) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16966 | LINCS |