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5-Amino-2-(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-chloro-phenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile

View entire compound with spectra: 1 MS (GC)

5-Amino-2-(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-chloro-phenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID K6vaHo6QyZx
InChI InChI=1S/C21H18ClN5S2/c22-11-7-5-10(6-8-11)15-13(9-23)18(24)26-20-17(15)29-21(27-20)16-12-3-1-2-4-14(12)28-19(16)25/h5-8,15,26H,1-4,24-25H2
InChIKey SMDJRQUIIYCXLU-UHFFFAOYSA-N
Mol Weight 439.98 g/mol
Molecular Formula C21H18ClN5S2
Exact Mass 439.069216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ny7MEWDnJ5
Name 5-Amino-2-(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-chloro-phenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN5S2
InChI InChI=1S/C21H18ClN5S2/c22-11-7-5-10(6-8-11)15-13(9-23)18(24)26-20-17(15)29-21(27-20)16-12-3-1-2-4-14(12)28-19(16)25/h5-8,15,26H,1-4,24-25H2
InChIKey SMDJRQUIIYCXLU-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 and Shimadzu GCMS-QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3697
Molecular Weight 439.983 g/mol
SMILES N1C(=C(C(c2c1nc(-c1c3c(sc1N)CCCC3)s2)c1ccc(cc1)Cl)C#N)N
SPLASH splash10-0udi-0900000000-47e5cb48d7b683b18747
Source of Spectrum Y-56-3025-5b
Wiley ID 1859341