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1,3-Dimethyl-7-octyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 3r458Fl26Zl
InChI InChI=1S/C15H24N4O2S/c1-4-5-6-7-8-9-10-19-11-12(16-14(19)22)17(2)15(21)18(3)13(11)20/h4-10H2,1-3H3,(H,16,22)
InChIKey YAHAZCCFMUSYOD-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C15H24N4O2S
Exact Mass 324.161997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5z5usXtEuQN
Name 1,3-Dimethyl-7-octyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
CAS Registry Number 296899-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24N4O2S
InChI InChI=1S/C15H24N4O2S/c1-4-5-6-7-8-9-10-19-11-12(16-14(19)22)17(2)15(21)18(3)13(11)20/h4-10H2,1-3H3,(H,16,22)
InChIKey YAHAZCCFMUSYOD-UHFFFAOYSA-N
Molecular Weight 324.443 g/mol
SMILES Sc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CCCCCCCC
SPLASH splash10-01ox-9481000000-6689cd38370b332f80fd
Source of Spectrum AD-0-2532-0
Synonyms 1,3-Dimethyl-7-octyl-8-sulfanylidene-9H-purine-2,6-dione 1,3-Dimethyl-7-octyl-8-thioxo-9H-purine-2,6-dione 1,3-Dimethyl-7-octyl-8-thioxo-9H-purine-2,6-quinone Purine-2,6(1H,3H)-dione, 8-mercapto-1,3-dimethyl-7-octyl-
Wiley ID 1432595