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Purine-2,6(1H,3H)-dione, 8-benzylthio-3-methyl-7-propyl-
SpectraBase Compound ID GgbESYKEE6a
InChI InChI=1S/C16H18N4O2S/c1-3-9-20-12-13(19(2)15(22)18-14(12)21)17-16(20)23-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,18,21,22)
InChIKey BWWWSRCFYCOWKP-UHFFFAOYSA-N
Mol Weight 330.41 g/mol
Molecular Formula C16H18N4O2S
Exact Mass 330.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGTTqsS8t0B
Name Purine-2,6(1H,3H)-dione, 8-benzylthio-3-methyl-7-propyl-
Alternate Name(s) 3-Methyl-8-(phenylmethylsulfanyl)-7-propyl-purine-2,6-dione 3-Methyl-8-(phenylmethylthio)-7-propylpurine-2,6-dione 8-(Benzylsulfanyl)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione 8-(benzylthio)-3-methyl-7-propyl-xanthine 8-Benzylsulfanyl-3-methyl-7-propyl-purine-2,6-dione
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Formula C16H18N4O2S
InChI InChI=1S/C16H18N4O2S/c1-3-9-20-12-13(19(2)15(22)18-14(12)21)17-16(20)23-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,18,21,22)
InChIKey BWWWSRCFYCOWKP-UHFFFAOYSA-N
Molecular Weight 330.406 g/mol
SMILES N1C(c2[n](c(nc2N(C1=O)C)SCc1ccccc1)CCC)=O
SPLASH splash10-0006-9100000000-526d98c2848d86abb116
Wiley ID 1439626