EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12N5O |
| Net Charge | +1 |
| Average Mass | 242.262 |
| Monoisotopic Mass | 242.10364 |
| SMILES | COc1cccc(Nc2nc[nH+]c3ncnc23)c1 |
| InChI | InChI=1S/C12H11N5O/c1-18-9-4-2-3-8(5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)/p+1 |
| InChIKey | AXPCHVXFDHPTBW-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19895 (CHEBI:108520) is a 6-aminopurines (CHEBI:20706) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19895 | LINCS |