EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H21N3O3S |
| Net Charge | 0 |
| Average Mass | 419.506 |
| Monoisotopic Mass | 419.13036 |
| SMILES | COc1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3C)c(=O)c2c1C |
| InChI | InChI=1S/C23H21N3O3S/c1-14-8-4-5-9-16(14)12-26-13-24-22-19(23(26)28)15(2)20(30-22)21(27)25-17-10-6-7-11-18(17)29-3/h4-11,13H,12H2,1-3H3,(H,25,27) |
| InChIKey | ZTRWCLRJZHJKAF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-methoxyphenyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide (CHEBI:116111) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27567 | LINCS |