EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H23N5O3S |
| Net Charge | 0 |
| Average Mass | 401.492 |
| Monoisotopic Mass | 401.15216 |
| SMILES | CC1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)n2)CC1 |
| InChI | InChI=1S/C19H23N5O3S/c1-12-7-9-24(10-8-12)14(25)11-28-19-22-16(20)15(18(27)23-19)21-17(26)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,21,26)(H3,20,22,23,27) |
| InChIKey | QMTQSRKDUJCMMI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[6-amino-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide (CHEBI:114561) is a N-acylpiperidine (CHEBI:48591) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26022 | LINCS |