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CHEBI:109726 - 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
| Formula | C20H17FN4O3S2 |
| Net Charge | 0 |
| Average Mass | 444.513 |
| Monoisotopic Mass | 444.07261 |
| SMILES | Cn1c(=O)c2c(nc(SCC(=O)c3cccs3)n2Cc2ccc(F)cc2)n(C)c1=O |
| InChI | InChI=1S/C20H17FN4O3S2/c1-23-17-16(18(27)24(2)20(23)28)25(10-12-5-7-13(21)8-6-12)19(22-17)30-11-14(26)15-4-3-9-29-15/h3-9H,10-11H2,1-2H3 |
| InChIKey | LDAMUYGSAJJUBT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione (CHEBI:109726) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21154 | LINCS |