EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16N2O2S |
| Net Charge | 0 |
| Average Mass | 300.383 |
| Monoisotopic Mass | 300.09325 |
| SMILES | O=c1nc2n(c(O)c1CC=Cc1ccccc1)CCCS2 |
| InChI | InChI=1S/C16H16N2O2S/c19-14-13(9-4-8-12-6-2-1-3-7-12)15(20)18-10-5-11-21-16(18)17-14/h1-4,6-8,20H,5,9-11H2 |
| InChIKey | JFTNILOODPSZBN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-hydroxy-7-(3-phenylprop-2-enyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one (CHEBI:116133) is a styrenes (CHEBI:26799) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27589 | LINCS |