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CHEBI:117032 - 8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione

ChEBI IDCHEBI:117032
ChEBI Name8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
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DownloadsMolfile
FormulaC18H19N5O2S2
Net Charge0
Average Mass401.517
Monoisotopic Mass401.09802
SMILESCCCCCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)nc(=O)n2C
InChIInChI=1S/C18H19N5O2S2/c1-3-4-7-10-23-13-14(22(2)16(25)21-15(13)24)20-17(23)27-18-19-11-8-5-6-9-12(11)26-18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,24,25)
InChIKeyIRSCSUYQQBSTMS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione (CHEBI:117032) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-28480LINCS