EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16N4OS |
| Net Charge | 0 |
| Average Mass | 300.387 |
| Monoisotopic Mass | 300.10448 |
| SMILES | CC1(C)CC(=O)C2C(=Nc3ncnn3C2c2cccs2)C1 |
| InChI | InChI=1S/C15H16N4OS/c1-15(2)6-9-12(10(20)7-15)13(11-4-3-5-21-11)19-14(18-9)16-8-17-19/h3-5,8,12-13H,6-7H2,1-2H3 |
| InChIKey | NYAWKGHPYMRXCW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6,6-dimethyl-9-thiophen-2-yl-5,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CHEBI:119893) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31337 | LINCS |