EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:92997 - 3-methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione
| Formula | C19H24N4O2S |
| Net Charge | 0 |
| Average Mass | 372.494 |
| Monoisotopic Mass | 372.16200 |
| SMILES | CCCCCn1c(SCCc2ccccc2)nc2c1c(=O)nc(=O)n2C |
| InChI | InChI=1S/C19H24N4O2S/c1-3-4-8-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25) |
| InChIKey | ZNKHQWGJWCXYRV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione (CHEBI:92997) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3264 | LINCS |