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3-[6,9-Dihydro-2-(methylthio)-6-oxo-1H-purin-8-yl]quinolin-2(1H)-one
SpectraBase Compound ID FTvWyjdqR7z
InChI InChI=1S/C15H11N5O2S/c1-23-15-19-12-10(14(22)20-15)17-11(18-12)8-6-7-4-2-3-5-9(7)16-13(8)21/h2-6H,1H3,(H,16,21)(H2,17,18,19,20,22)
InChIKey SWJPHJGGSLETDU-UHFFFAOYSA-N
Mol Weight 325.35 g/mol
Molecular Formula C15H11N5O2S
Exact Mass 325.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCIzJAcaAw9
Name 3-[6,9-Dihydro-2-(methylthio)-6-oxo-1H-purin-8-yl]quinolin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N5O2S
InChI InChI=1S/C15H11N5O2S/c1-23-15-19-12-10(14(22)20-15)17-11(18-12)8-6-7-4-2-3-5-9(7)16-13(8)21/h2-6H,1H3,(H,16,21)(H2,17,18,19,20,22)
InChIKey SWJPHJGGSLETDU-UHFFFAOYSA-N
Molecular Weight 325.346 g/mol
SMILES [nH]1c2N=C(NC(c2nc1C=1C(Nc2c(C1)cccc2)=O)=O)SC
SPLASH splash10-004i-0419000000-327b3cf41259304e7df2
Source of Spectrum U1-2010-324-4j
Synonyms 3-[2-(methylthio)-6-oxo-3,7-dihydropurin-8-yl]-1H-quinolin-2-one 3-(2-Methylsulfanyl-6-oxo-3,7-dihydropurin-8-yl)-1H-quinolin-2-one 3-(2-Methylsulfanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)-1H-quinolin-2-one
Wiley ID 1663719