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Purine-2,6-dione, 8-bromo-1,3-dimethyl-7-(2-oxo-2-thiophen-2-ylethyl)-3,7-dihydro-
SpectraBase Compound ID EA85NF3wv9h
InChI InChI=1S/C13H11BrN4O3S/c1-16-10-9(11(20)17(2)13(16)21)18(12(14)15-10)6-7(19)8-4-3-5-22-8/h3-5H,6H2,1-2H3
InChIKey YRWWTZIGNQOELX-UHFFFAOYSA-N
Mol Weight 383.22 g/mol
Molecular Formula C13H11BrN4O3S
Exact Mass 381.973524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MA6UmUyZzy
Name Purine-2,6-dione, 8-bromo-1,3-dimethyl-7-(2-oxo-2-thiophen-2-ylethyl)-3,7-dihydro-
Alternate Name(s) 8-Bromanyl-1,3-dimethyl-7-(2-oxidanylidene-2-thiophen-2-yl-ethyl)purine-2,6-dione 8-Bromo-1,3-dimethyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione 8-Bromo-1,3-dimethyl-7-[2-oxo-2-(2-thienyl)ethyl]purine-2,6-dione 8-Bromo-7-[2-keto-2-(2-thienyl)ethyl]-1,3-dimethyl-xanthine
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Formula C13H11BrN4O3S
InChI InChI=1S/C13H11BrN4O3S/c1-16-10-9(11(20)17(2)13(16)21)18(12(14)15-10)6-7(19)8-4-3-5-22-8/h3-5H,6H2,1-2H3
InChIKey YRWWTZIGNQOELX-UHFFFAOYSA-N
Molecular Weight 383.220 g/mol
SMILES c12c([n](CC(c3sccc3)=O)c(n1)Br)C(=O)N(C(N2C)=O)C
SPLASH splash10-03di-2901000000-c6537fd770256bf828b2
Wiley ID 1446099