EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H34N4O3S |
| Net Charge | 0 |
| Average Mass | 494.661 |
| Monoisotopic Mass | 494.23516 |
| SMILES | CCN1CCCC1CN(Cc1cc2ccc(C)cc2nc1=O)C(=S)Nc1ccc(OC)cc1OC |
| InChI | InChI=1S/C27H34N4O3S/c1-5-30-12-6-7-21(30)17-31(27(35)29-23-11-10-22(33-3)15-25(23)34-4)16-20-14-19-9-8-18(2)13-24(19)28-26(20)32/h8-11,13-15,21H,5-7,12,16-17H2,1-4H3,(H,28,32)(H,29,35) |
| InChIKey | KXNWGWWYNFNKJS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(2,4-dimethoxyphenyl)-1-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea (CHEBI:104960) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16323 | LINCS |