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loading...| Preferred Name |
8-(3-chlorostyryl)caffeine |
| Synonyms |
8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione CSC |
| Definitions |
Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_53115 |
| charge |
0 |
| database_cross_reference |
MeSH:C081320 Beilstein:8153842 CAS:147700-11-6 |
| definition |
Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group. |
| formula |
C16H15ClN4O2 |
| has_exact_synonym |
8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
CSC |
| has_role | |
| id |
CHEBI:53115 |
| in_subset | |
| inchi |
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+ |
| inchikey |
WBWFIUAVMCNYPG-BQYQJAHWSA-N |
| label |
8-(3-chlorostyryl)caffeine |
| mass |
330.76900 |
| monoisotopicmass |
330.08835 |
| notation |
CHEBI:53115 |
| prefLabel |
8-(3-chlorostyryl)caffeine |
| smiles |
Cn1c(C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 |
| subClassOf |
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