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CHEBI:121986 - 8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione

ChEBI IDCHEBI:121986
ChEBI Name8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
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DownloadsMolfile
FormulaC17H19ClN4O2S
Net Charge0
Average Mass378.885
Monoisotopic Mass378.09172
SMILESCCC(C)Sc1nc2c(c(=O)nc(=O)n2C)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4O2S/c1-4-10(2)25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,20,23,24)
InChIKeyHWJUDZZLUIULRG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione (CHEBI:121986) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-33429LINCS