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3,7-Dimethyl-8-(propan-2-ylthio)purine-2,6-dione
SpectraBase Compound ID LKb5YgdKxaN
InChI InChI=1S/C10H14N4O2S/c1-5(2)17-10-11-7-6(13(10)3)8(15)12-9(16)14(7)4/h5H,1-4H3,(H,12,15,16)
InChIKey INKHJSKZTTYTRB-UHFFFAOYSA-N
Mol Weight 254.31 g/mol
Molecular Formula C10H14N4O2S
Exact Mass 254.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gz3p2rImOHA
Name 3,7-Dimethyl-8-(propan-2-ylthio)purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O2S
InChI InChI=1S/C10H14N4O2S/c1-5(2)17-10-11-7-6(13(10)3)8(15)12-9(16)14(7)4/h5H,1-4H3,(H,12,15,16)
InChIKey INKHJSKZTTYTRB-UHFFFAOYSA-N
Molecular Weight 254.308 g/mol
SMILES N1C(c2[n](c(nc2N(C1=O)C)SC(C)C)C)=O
SPLASH splash10-0296-9220000000-2c4400c515f4dd4e3daa
Synonyms 3,7-Dimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione 8-(isopropylthio)-3,7-dimethyl-xanthine 8-isopropylsulfanyl-3,7-dimethyl-purine-2,6-dione Purine-2,6-dione, 8-isopropylsulfanyl-3,7-dimethyl-3,7-dihydro-
Wiley ID 1444889