EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N3OS |
| Net Charge | 0 |
| Average Mass | 259.334 |
| Monoisotopic Mass | 259.07793 |
| SMILES | CCc1c(C)nc2cc(-c3cccs3)nn2c1=O |
| InChI | InChI=1S/C13H13N3OS/c1-3-9-8(2)14-12-7-10(11-5-4-6-18-11)15-16(12)13(9)17/h4-7,15H,3H2,1-2H3 |
| InChIKey | FDEQFHOLYLRQEW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CHEBI:121587) is a pyrazolopyrimidine (CHEBI:38669) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33030 | LINCS |