EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15N5O4S2 |
| Net Charge | 0 |
| Average Mass | 405.461 |
| Monoisotopic Mass | 405.05655 |
| SMILES | Cn1c(O)c(C(c2ccccn2)c2c(O)n(C)c(=S)nc2=O)c(=O)nc1=S |
| InChI | InChI=1S/C16H15N5O4S2/c1-20-13(24)9(11(22)18-15(20)26)8(7-5-3-4-6-17-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27) |
| InChIKey | KTLIMRLDAZNZAJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(2-pyridinyl)methyl]-1-methyl-2-sulfanylidene-4-pyrimidinone (CHEBI:107271) is a hydroxypyrimidine (CHEBI:38340) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18625 | LINCS |