EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N6O3S |
| Net Charge | 0 |
| Average Mass | 386.437 |
| Monoisotopic Mass | 386.11611 |
| SMILES | Cc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2)cc1 |
| InChI | InChI=1S/C17H18N6O3S/c1-9-4-6-10(7-5-9)14-19-16(21-20-14)27-8-11(24)12-13(18)22(2)17(26)23(3)15(12)25/h4-7H,8,18H2,1-3H3,(H,19,20,21) |
| InChIKey | HVKDRLNUGSOKHE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-amino-1,3-dimethyl-5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]pyrimidine-2,4-dione (CHEBI:113237) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24648 | LINCS |