EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19N3O4S |
| Net Charge | 0 |
| Average Mass | 361.423 |
| Monoisotopic Mass | 361.10963 |
| SMILES | COc1ccc(NC(=O)CSc2nc3c(c(=O)n2)CCC3)cc1OC |
| InChI | InChI=1S/C17H19N3O4S/c1-23-13-7-6-10(8-14(13)24-2)18-15(21)9-25-17-19-12-5-3-4-11(12)16(22)20-17/h6-8H,3-5,9H2,1-2H3,(H,18,21)(H,19,20,22) |
| InChIKey | NRTYCXOOEJJVDJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]acetamide (CHEBI:111207) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22663 | LINCS |