EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H24N6O3S |
| Net Charge | 0 |
| Average Mass | 464.551 |
| Monoisotopic Mass | 464.16306 |
| SMILES | CCn1c(SCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)nc2=O)nc2ccccc21 |
| InChI | InChI=1S/C23H24N6O3S/c1-3-28-17-12-8-7-11-16(17)25-23(28)33-14-18(30)27(2)19-20(24)29(22(32)26-21(19)31)13-15-9-5-4-6-10-15/h4-12H,3,13-14,24H2,1-2H3,(H,26,31,32) |
| InChIKey | CRLSRLPQMRZXHJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(1-ethyl-2-benzimidazolyl)thio]-N-methylacetamide (CHEBI:107208) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18562 | LINCS |