EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N4O3S |
| Net Charge | 0 |
| Average Mass | 412.515 |
| Monoisotopic Mass | 412.15691 |
| SMILES | C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3nccc23)n1 |
| InChI | InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1 |
| InChIKey | SCGCBAAYLFTIJU-CQSZACIVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine (CHEBI:124915) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36357 | LINCS |