EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20N6O3S |
| Net Charge | 0 |
| Average Mass | 388.453 |
| Monoisotopic Mass | 388.13176 |
| SMILES | CCn1c(SCC(=O)Nc2cccc(C)n2)nc2c1c(=O)n(C)c(=O)n2C |
| InChI | InChI=1S/C17H20N6O3S/c1-5-23-13-14(21(3)17(26)22(4)15(13)25)20-16(23)27-9-12(24)19-11-8-6-7-10(2)18-11/h6-8H,5,9H2,1-4H3,(H,18,19,24) |
| InChIKey | YMIPTERHPHSLKP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(6-methyl-2-pyridinyl)acetamide (CHEBI:107261) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18615 | LINCS |