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7-Benzyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID BZPh1ClhckO
InChI InChI=1S/C14H14N4O2S/c1-16-11-10(12(19)17(2)14(16)20)18(13(21)15-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,21)
InChIKey RVDINNIOYCQIRX-UHFFFAOYSA-N
Mol Weight 302.35 g/mol
Molecular Formula C14H14N4O2S
Exact Mass 302.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJ751KWpPiN
Name 7-Benzyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4O2S
InChI InChI=1S/C14H14N4O2S/c1-16-11-10(12(19)17(2)14(16)20)18(13(21)15-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,21)
InChIKey RVDINNIOYCQIRX-UHFFFAOYSA-N
Molecular Weight 302.352 g/mol
SMILES Sc1nc2c([n]1Cc1ccccc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-0f6x-9123000000-c40c60313dcba7e685e4
Synonyms 1,3-Dimethyl-7-(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione 7-Benzyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione 7-Benzyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione 7-Benzyl-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione 7-Benzyl-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone
Wiley ID 1453674