EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H15N3OS |
| Net Charge | 0 |
| Average Mass | 261.350 |
| Monoisotopic Mass | 261.09358 |
| SMILES | CCn1c(=S)nc2nc3c(cc2c1=O)CCCC3 |
| InChI | InChI=1S/C13H15N3OS/c1-2-16-12(17)9-7-8-5-3-4-6-10(8)14-11(9)15-13(16)18/h7H,2-6H2,1H3,(H,14,15,18) |
| InChIKey | RYMPDWNZCQXSCM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one (CHEBI:121567) is a pyridopyrimidine (CHEBI:38932) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33010 | LINCS |