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2-Acetyl-3,6-diamino-4-(4-hydroxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
SpectraBase Compound ID Er25Ffn1vTP
InChI InChI=1S/C16H12N4O2S/c1-7(21)14-13(18)12-11(8-2-4-9(22)5-3-8)10(6-17)15(19)20-16(12)23-14/h2-5,22H,18H2,1H3,(H2,19,20)
InChIKey WILNMFKYWPGDMH-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C16H12N4O2S
Exact Mass 324.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfbO3aDDi70
Name 2-Acetyl-3,6-diamino-4-(4-hydroxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Appearance Yellow crystals
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Formula C16H12N4O2S
InChI InChI=1S/C16H12N4O2S/c1-7(21)14-13(18)12-11(8-2-4-9(22)5-3-8)10(6-17)15(19)20-16(12)23-14/h2-5,22H,18H2,1H3,(H2,19,20)
InChIKey WILNMFKYWPGDMH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3444
Molecular Weight 324.358 g/mol
SMILES Nc1c(c(-c2ccc(cc2)O)c2c(n1)sc(c2N)C(=O)C)C#N
SPLASH splash10-00di-2009000000-ac324ba793fd2314c88b
Source of Spectrum Y-56-659-11b
Wiley ID 1859438