EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13N5S |
| Net Charge | 0 |
| Average Mass | 331.404 |
| Monoisotopic Mass | 331.08917 |
| SMILES | Nc1nc(=S)nc2nc(-c3ccccc3)c(-c3ccccc3)nc12 |
| InChI | InChI=1S/C18H13N5S/c19-16-15-17(23-18(24)22-16)21-14(12-9-5-2-6-10-12)13(20-15)11-7-3-1-4-8-11/h1-10H,(H3,19,21,22,23,24) |
| InChIKey | KVWKYWQHNUYWKX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-amino-6,7-diphenyl-3H-pteridine-2-thione (CHEBI:114926) is a pteridines (CHEBI:26373) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26389 | LINCS |