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methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SpectraBase Compound ID 3glXSgNTWhS
InChI InChI=1S/C13H11N5O2S/c1-20-12(19)11-9(14)10-8(21-11)5-7(6-17-10)18-13-15-3-2-4-16-13/h2-6H,14H2,1H3,(H,15,16,18)
InChIKey RKJZATKCWQAMHW-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C13H11N5O2S
Exact Mass 301.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgYprLhtGur
Name methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
Alternate Name(s) 3-amino-6-(2-pyrimidinylamino)-2-thieno[3,2-b]pyridinecarboxylic acid methyl ester methyl 3-azanyl-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H11N5O2S
InChI InChI=1S/C13H11N5O2S/c1-20-12(19)11-9(14)10-8(21-11)5-7(6-17-10)18-13-15-3-2-4-16-13/h2-6H,14H2,1H3,(H,15,16,18)
InChIKey RKJZATKCWQAMHW-UHFFFAOYSA-N
Molecular Weight 301.324 g/mol
SMILES N(c1ncccn1)c1cc2sc(c(c2nc1)N)C(=O)OC
SPLASH splash10-0udi-0039000000-c23a6c4f498ecd98134c
Source of Spectrum F2-45-5736-4f
Wiley ID 1703375