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CHEBI:121415 - 3-butyl-8-(2-fluorophenyl)-7-(phenylmethyl)purine-2,6-dione

ChEBI IDCHEBI:121415
ChEBI Name3-butyl-8-(2-fluorophenyl)-7-(phenylmethyl)purine-2,6-dione
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DownloadsMolfile
FormulaC22H21FN4O2
Net Charge0
Average Mass392.434
Monoisotopic Mass392.16485
SMILESCCCCn1c(=O)nc(=O)c2c1nc(-c1ccccc1F)n2Cc1ccccc1
InChIInChI=1S/C22H21FN4O2/c1-2-3-13-26-20-18(21(28)25-22(26)29)27(14-15-9-5-4-6-10-15)19(24-20)16-11-7-8-12-17(16)23/h4-12H,2-3,13-14H2,1H3,(H,25,28,29)
InChIKeyUMVBNOGSNZCWCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-butyl-8-(2-fluorophenyl)-7-(phenylmethyl)purine-2,6-dione (CHEBI:121415) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-32858LINCS