EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15N7O2 |
| Net Charge | 0 |
| Average Mass | 337.343 |
| Monoisotopic Mass | 337.12872 |
| SMILES | Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12 |
| InChI | InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) |
| InChIKey | PWTBZOIUWZOPFT-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[2-[[7-amino-2-(2-furanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol (CHEBI:92361) is a diamino-1,3,5-triazine (CHEBI:38170) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2444 | LINCS |