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7-Isopropyl-1,3-dimethyl-8-(1-methyl-1H-imidazol-2-ylsulfanyl)-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID 7fDyLPKjVJ4
InChI InChI=1S/C14H18N6O2S/c1-8(2)20-9-10(18(4)14(22)19(5)11(9)21)16-13(20)23-12-15-6-7-17(12)3/h6-8H,1-5H3
InChIKey CGQBOVIIOVEYMO-UHFFFAOYSA-N
Mol Weight 334.4 g/mol
Molecular Formula C14H18N6O2S
Exact Mass 334.121195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28IkKsxlVw
Name 7-Isopropyl-1,3-dimethyl-8-(1-methyl-1H-imidazol-2-ylsulfanyl)-3,7-dihydro-purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-7-propan-2-yl-purine-2,6-dione 1,3-Dimethyl-8-[(1-methyl-2-imidazolyl)thio]-7-propan-2-ylpurine-2,6-dione 7-isopropyl-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione 7-isopropyl-1,3-dimethyl-8-[(1-methylimidazol-2-yl)thio]xanthine
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Formula C14H18N6O2S
InChI InChI=1S/C14H18N6O2S/c1-8(2)20-9-10(18(4)14(22)19(5)11(9)21)16-13(20)23-12-15-6-7-17(12)3/h6-8H,1-5H3
InChIKey CGQBOVIIOVEYMO-UHFFFAOYSA-N
Molecular Weight 334.398 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C(C)C)c(n1)Sc1[n](ccn1)C
SPLASH splash10-01po-6963000000-331dcc05c4fc65e043bf
Wiley ID 1453108