EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13N3O |
| Net Charge | 0 |
| Average Mass | 215.256 |
| Monoisotopic Mass | 215.10586 |
| SMILES | O=c1nc(N2CCCC2)nc2ccccc12 |
| InChI | InChI=1S/C12H13N3O/c16-11-9-5-1-2-6-10(9)13-12(14-11)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8H2,(H,13,14,16) |
| InChIKey | KSDABWGBZQUTRR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1-pyrrolidinyl)-1H-quinazolin-4-one (CHEBI:94195) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4815 | LINCS |