EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H14N4O3 |
| Net Charge | 0 |
| Average Mass | 286.291 |
| Monoisotopic Mass | 286.10659 |
| SMILES | COCc1cc(=O)n2c(-c3ccccc3OC)nnc2n1 |
| InChI | InChI=1S/C14H14N4O3/c1-20-8-9-7-12(19)18-13(16-17-14(18)15-9)10-5-3-4-6-11(10)21-2/h3-7H,8H2,1-2H3,(H,15,17) |
| InChIKey | QBHAYGVGPIOFPZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CHEBI:120766) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32208 | LINCS |