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4-Acetamido-3-(2,4-diketopyrimidin-1-yl)thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID H5aE1aD7ht7
InChI InChI=1S/C12H11N3O5S/c1-6(16)13-7-5-21-10(11(18)20-2)9(7)15-4-3-8(17)14-12(15)19/h3-5H,1-2H3,(H,13,16)(H,14,17,19)
InChIKey BHCUTGOSYDEKOF-UHFFFAOYSA-N
Mol Weight 309.3 g/mol
Molecular Formula C12H11N3O5S
Exact Mass 309.041942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MwSIb9QrK2
Name 4-Acetamido-3-(2,4-diketopyrimidin-1-yl)thiophene-2-carboxylic acid methyl ester
Alternate Name(s) 4-Acetamido-3-(2,4-dioxo-1-pyrimidinyl)-2-thiophenecarboxylic acid methyl ester Methyl 4-acetamido-3-(2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate Methyl 4-acetamido-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]thiophene-2-carboxylate
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Formula C12H11N3O5S
InChI InChI=1S/C12H11N3O5S/c1-6(16)13-7-5-21-10(11(18)20-2)9(7)15-4-3-8(17)14-12(15)19/h3-5H,1-2H3,(H,13,16)(H,14,17,19)
InChIKey BHCUTGOSYDEKOF-UHFFFAOYSA-N
Molecular Weight 309.296 g/mol
SMILES N(c1csc(c1N1C(NC(C=C1)=O)=O)C(=O)OC)C(=O)C
SPLASH splash10-014l-3994000000-3e024a0a23bb2703607e
Source of Spectrum H-81-32-14
Wiley ID 1310459