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3-Amino-4-(3,5-dibromo-4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carbamide
SpectraBase Compound ID GvTScj7ZOQt
InChI InChI=1S/C21H15Br2N3O2S/c1-28-18-13(22)7-11(8-14(18)23)12-9-15(10-5-3-2-4-6-10)26-21-16(12)17(24)19(29-21)20(25)27/h2-9H,24H2,1H3,(H2,25,27)
InChIKey CHAKYTVOIFZULE-UHFFFAOYSA-N
Mol Weight 533.24 g/mol
Molecular Formula C21H15Br2N3O2S
Exact Mass 530.925174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cZwk51dpwG
Name 3-Amino-4-(3,5-dibromo-4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carbamide
Appearance Yellow crystals
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Formula C21H15Br2N3O2S
InChI InChI=1S/C21H15Br2N3O2S/c1-28-18-13(22)7-11(8-14(18)23)12-9-15(10-5-3-2-4-6-10)26-21-16(12)17(24)19(29-21)20(25)27/h2-9H,24H2,1H3,(H2,25,27)
InChIKey CHAKYTVOIFZULE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3444
Molecular Weight 533.238 g/mol
SMILES Nc1c(C(=O)N)sc2nc(cc(c12)-c1cc(c(c(c1)Br)OC)Br)-c1ccccc1
SPLASH splash10-03di-0000900000-924fa8c0d0c955b34d2a
Source of Spectrum Y-56-658-10f
Wiley ID 1859436