Description
Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
Chemical properties
| Chemical formula | Net charge | Average mass |
|---|---|---|
| C16H15ClN4O2 | 0 | 330.76900 |
caffeine.svg)
Nomenclature
| IUPAC | SMILES | InChI | InChIKey | Synonyms |
|---|---|---|---|---|
| 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione | Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 | InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ | WBWFIUAVMCNYPG-BQYQJAHWSA-N |
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