EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16N4O |
| Net Charge | 0 |
| Average Mass | 280.331 |
| Monoisotopic Mass | 280.13241 |
| SMILES | Cc1ccc(Nc2nnc(-c3ccccc3N)o2)cc1C |
| InChI | InChI=1S/C16H16N4O/c1-10-7-8-12(9-11(10)2)18-16-20-19-15(21-16)13-5-3-4-6-14(13)17/h3-9H,17H2,1-2H3,(H,18,20) |
| InChIKey | VBWKIBVDKWTPIJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine (CHEBI:107763) is a methylbenzene (CHEBI:38975) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19140 | LINCS |