EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H19N5O3 |
| Net Charge | 0 |
| Average Mass | 281.316 |
| Monoisotopic Mass | 281.14879 |
| SMILES | CCOCCCNc1nc2c(=O)n(C)c(=O)n(C)c2n1 |
| InChI | InChI=1S/C12H19N5O3/c1-4-20-7-5-6-13-11-14-8-9(15-11)16(2)12(19)17(3)10(8)18/h4-7H2,1-3H3,(H2,13,14,15) |
| InChIKey | NSXICLGLBKUSQP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-(3-ethoxypropylamino)-1,3-dimethyl-7H-purine-2,6-dione (CHEBI:121673) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33116 | LINCS |