EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N3O |
| Net Charge | 0 |
| Average Mass | 267.332 |
| Monoisotopic Mass | 267.13716 |
| SMILES | CCCCc1c2c(nc1=C1C=CC(=O)C=C1)=NC=CN2 |
| InChI | InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,17H,2-4H2,1H3,(H,18,19) |
| InChIKey | AYIIQABSVDIZSY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(7-butyl-1,5-dihydropyrrolo[2,3-b]pyrazin-6-ylidene)-1-cyclohexa-2,5-dienone (CHEBI:93641) is a quinomethanes (CHEBI:52404) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4110 | LINCS |