EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25N3O5S |
| Net Charge | 0 |
| Average Mass | 455.536 |
| Monoisotopic Mass | 455.15149 |
| SMILES | CCN(CC)C(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(OC)cc1)OCO3 |
| InChI | InChI=1S/C23H25N3O5S/c1-4-25(5-2)21(27)13-32-23-24-18-11-20-19(30-14-31-20)10-17(18)22(28)26(23)12-15-6-8-16(29-3)9-7-15/h6-11H,4-5,12-14H2,1-3H3 |
| InChIKey | BXNBGCOJYSPASM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]acetamide (CHEBI:122134) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33577 | LINCS |