EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20N6O2S |
| Net Charge | 0 |
| Average Mass | 444.520 |
| Monoisotopic Mass | 444.13684 |
| SMILES | Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)nn1 |
| InChI | InChI=1S/C23H20N6O2S/c1-14-11-19(28-27-14)26-20(30)13-32-23-25-17-10-6-5-9-16(17)21-24-18(22(31)29(21)23)12-15-7-3-2-4-8-15/h2-11,18H,12-13H2,1H3,(H2,26,27,28,30) |
| InChIKey | CEDSXKNLVNWYSN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide (CHEBI:116300) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27755 | LINCS |