EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N4 |
| Net Charge | +1 |
| Average Mass | 225.275 |
| Monoisotopic Mass | 225.11347 |
| SMILES | C=CCNc1[nH+]cnc2c1nc1ccccc12 |
| InChI | InChI=1S/C13H12N4/c1-2-7-14-13-12-11(15-8-16-13)9-5-3-4-6-10(9)17-12/h2-6,8,17H,1,7H2,(H,14,15,16)/p+1 |
| InChIKey | IIZRBYYJFUQYHY-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-33192 (CHEBI:121749) is a pyrrolopyrimidine (CHEBI:38670) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33192 | LINCS |