EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H13N4OS |
| Net Charge | +1 |
| Average Mass | 321.385 |
| Monoisotopic Mass | 321.08046 |
| SMILES | O=C(CSc1[nH+]cnc2ncnc12)c1ccc2ccccc2c1 |
| InChI | InChI=1S/C17H12N4OS/c22-14(13-6-5-11-3-1-2-4-12(11)7-13)8-23-17-15-16(19-9-18-15)20-10-21-17/h1-7,9-10H,8H2,(H,18,19,20,21)/p+1 |
| InChIKey | VQMJJOYQKCIYGO-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-23854 (CHEBI:112442) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23854 | LINCS |