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3-(2,4-diketopyrimidin-1-yl)-5-[[3-(2,4-diketopyrimidin-1-yl)-5-nitro-thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID HSKm3l2ZFx0
InChI InChI=1S/C19H12N6O9S2/c1-34-17(29)15-8(23-4-2-10(26)20-18(23)30)6-12(35-15)22-16(28)14-9(7-13(36-14)25(32)33)24-5-3-11(27)21-19(24)31/h2-7H,1H3,(H,22,28)(H,20,26,30)(H,21,27,31)
InChIKey NTCAEBDDUGKFKK-UHFFFAOYSA-N
Mol Weight 532.46 g/mol
Molecular Formula C19H12N6O9S2
Exact Mass 532.010718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtItDHcfnU5
Name 3-(2,4-diketopyrimidin-1-yl)-5-[[3-(2,4-diketopyrimidin-1-yl)-5-nitro-thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid methyl ester
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Formula C19H12N6O9S2
InChI InChI=1S/C19H12N6O9S2/c1-34-17(29)15-8(23-4-2-10(26)20-18(23)30)6-12(35-15)22-16(28)14-9(7-13(36-14)25(32)33)24-5-3-11(27)21-19(24)31/h2-7H,1H3,(H,22,28)(H,20,26,30)(H,21,27,31)
InChIKey NTCAEBDDUGKFKK-UHFFFAOYSA-N
Molecular Weight 532.458 g/mol
SMILES N1C(C=CN(c2c(C(Nc3cc(N4C(NC(C=C4)=O)=O)c(s3)C(=O)OC)=O)sc(c2)N(=O)=O)C1=O)=O
SPLASH splash10-029f-9750000000-249a3c80d059c779400a
Source of Spectrum H-81-33-15
Synonyms 3-(2,4-dioxo-1-pyrimidinyl)-5-[[[3-(2,4-dioxo-1-pyrimidinyl)-5-nitro-2-thiophenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester Methyl 3-(2,4-dioxopyrimidin-1-yl)-5-[[3-(2,4-dioxopyrimidin-1-yl)-5-nitro-thiophene-2-carbonyl]amino]thiophene-2-carboxylate Methyl 3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-nitro-thiophen-2-yl]carbonylamino]thiophene-2-carboxylate
Wiley ID 1403529