EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H18N4O3 |
| Net Charge | 0 |
| Average Mass | 266.301 |
| Monoisotopic Mass | 266.13789 |
| SMILES | COCc1nc2c(=O)n(C)c(=O)n(CC(C)C)c2n1 |
| InChI | InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14) |
| InChIKey | NBLBCGUCPBXKOV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione (CHEBI:92940) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3194 | LINCS |