EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H17N5O2S |
| Net Charge | 0 |
| Average Mass | 415.478 |
| Monoisotopic Mass | 415.11030 |
| SMILES | Cc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1 |
| InChI | InChI=1S/C22H17N5O2S/c1-15-8-7-9-16(14-15)23-20-18-12-5-6-13-19(18)27-21(24-20)22(25-26-27)30(28,29)17-10-3-2-4-11-17/h2-14H,1H3,(H,23,24) |
| InChIKey | VKYYUIDNHOUPGY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(benzenesulfonyl)-N-(3-methylphenyl)-5-triazolo[1,5-a]quinazolinamine (CHEBI:108069) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19446 | LINCS |