EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22N4O3S |
| Net Charge | 0 |
| Average Mass | 422.510 |
| Monoisotopic Mass | 422.14126 |
| SMILES | COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OCC1CC1 |
| InChI | InChI=1S/C22H22N4O3S/c1-27-18-6-4-3-5-16(18)21-23-24-22-26(21)25-17(13-30-22)15-9-10-19(28-2)20(11-15)29-12-14-7-8-14/h3-6,9-11,14H,7-8,12-13H2,1-2H3 |
| InChIKey | FRDKEPOOASUUFN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CHEBI:92863) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3093 | LINCS |