EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N5O3S |
| Net Charge | 0 |
| Average Mass | 319.346 |
| Monoisotopic Mass | 319.07391 |
| SMILES | COc1cc2nc(CSc3ncnn3)nc(=O)c2cc1OC |
| InChI | InChI=1S/C13H13N5O3S/c1-20-9-3-7-8(4-10(9)21-2)16-11(17-12(7)19)5-22-13-14-6-15-18-13/h3-4,6H,5H2,1-2H3,(H,14,15,18)(H,16,17,19) |
| InChIKey | LZHQIMCBWDPRNV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one (CHEBI:108388) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19764 | LINCS |