EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H11N5O4S |
| Net Charge | 0 |
| Average Mass | 273.274 |
| Monoisotopic Mass | 273.05317 |
| SMILES | Nc1ncnc(NC2CCS(=O)(=O)C2)c1[N+](=O)[O-] |
| InChI | InChI=1S/C8H11N5O4S/c9-7-6(13(14)15)8(11-4-10-7)12-5-1-2-18(16,17)3-5/h4-5H,1-3H2,(H3,9,10,11,12) |
| InChIKey | UTLVLTDCBRBJEC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine (CHEBI:105802) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17163 | LINCS |