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3,6-Diamino-4-(4-hydroxyphenyl)-2-(phenylcarbonyl)thieno[2,3-b]pyridine-5-carbonitrile
SpectraBase Compound ID KwpEj1VXWw2
InChI InChI=1S/C21H14N4O2S/c22-10-14-15(11-6-8-13(26)9-7-11)16-17(23)19(28-21(16)25-20(14)24)18(27)12-4-2-1-3-5-12/h1-9,26H,23H2,(H2,24,25)
InChIKey VISPETKHHDKGQB-UHFFFAOYSA-N
Mol Weight 386.43 g/mol
Molecular Formula C21H14N4O2S
Exact Mass 386.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L90t5n3DIfe
Name 3,6-Diamino-4-(4-hydroxyphenyl)-2-(phenylcarbonyl)thieno[2,3-b]pyridine-5-carbonitrile
Appearance Orange crystals
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Formula C21H14N4O2S
InChI InChI=1S/C21H14N4O2S/c22-10-14-15(11-6-8-13(26)9-7-11)16-17(23)19(28-21(16)25-20(14)24)18(27)12-4-2-1-3-5-12/h1-9,26H,23H2,(H2,24,25)
InChIKey VISPETKHHDKGQB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3444
Molecular Weight 386.429 g/mol
SMILES Nc1c(c(-c2ccc(cc2)O)c2c(n1)sc(c2N)C(=O)c1ccccc1)C#N
SPLASH splash10-004i-9000000000-82b6ac3938d6f333063a
Source of Spectrum Y-56-658-11d
Wiley ID 1859439