EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16N5OS |
| Net Charge | +1 |
| Average Mass | 314.394 |
| Monoisotopic Mass | 314.10701 |
| SMILES | Cc1cccc(C)c1NC(=O)CSc1[nH+]cnc2ncnc12 |
| InChI | InChI=1S/C15H15N5OS/c1-9-4-3-5-10(2)12(9)20-11(21)6-22-15-13-14(17-7-16-13)18-8-19-15/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,16,17,18,19)/p+1 |
| InChIKey | MYHUWKTZJYGGBT-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-18500 (CHEBI:107146) is a thiopurine (CHEBI:35666) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18500 | LINCS |