EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12N4O |
| Net Charge | 0 |
| Average Mass | 228.255 |
| Monoisotopic Mass | 228.10111 |
| SMILES | c1ccc(-c2nnc(NC3=NCCC3)o2)cc1 |
| InChI | InChI=1S/C12H12N4O/c1-2-5-9(6-3-1)11-15-16-12(17-11)14-10-7-4-8-13-10/h1-3,5-6H,4,7-8H2,(H,13,14,16) |
| InChIKey | WUYSOFHLTPJEGK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine (CHEBI:112819) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24229 | LINCS |