EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13N3O2S |
| Net Charge | 0 |
| Average Mass | 263.322 |
| Monoisotopic Mass | 263.07285 |
| SMILES | COc1ccc(N2CN=C3SCC(=O)N3C2)cc1 |
| InChI | InChI=1S/C12H13N3O2S/c1-17-10-4-2-9(3-5-10)14-7-13-12-15(8-14)11(16)6-18-12/h2-5H,6-8H2,1H3 |
| InChIKey | LCTOKHKDXBABBU-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(4-methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one (CHEBI:116559) is a methoxybenzenes (CHEBI:51683) |
| 3-(4-methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one (CHEBI:116559) is a substituted aniline (CHEBI:48975) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28014 | LINCS |