EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H21N5O3 |
| Net Charge | 0 |
| Average Mass | 307.354 |
| Monoisotopic Mass | 307.16444 |
| SMILES | CCOCCn1c(N2CCCC2)nc2c1c(=O)nc(=O)n2C |
| InChI | InChI=1S/C14H21N5O3/c1-3-22-9-8-19-10-11(17(2)14(21)16-12(10)20)15-13(19)18-6-4-5-7-18/h3-9H2,1-2H3,(H,16,20,21) |
| InChIKey | BIIKJSCRZKWBPK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-(2-ethoxyethyl)-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione (CHEBI:111214) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22670 | LINCS |