EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H18N5O2 |
| Net Charge | +1 |
| Average Mass | 300.342 |
| Monoisotopic Mass | 300.14550 |
| SMILES | COc1ccc(CCNc2[nH+]cnc3ncnc23)cc1OC |
| InChI | InChI=1S/C15H17N5O2/c1-21-11-4-3-10(7-12(11)22-2)5-6-16-14-13-15(18-8-17-13)20-9-19-14/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17,18,19,20)/p+1 |
| InChIKey | LIUUGIOJOWHONS-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-24071 (CHEBI:112661) is a thiopurine (CHEBI:35666) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24071 | LINCS |