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5-Amino-2-(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-methoxyphenyl)-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-methoxyphenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID 7WNiEk4U39u
InChI InChI=1S/C22H21N5OS2/c1-28-12-8-6-11(7-9-12)16-14(10-23)19(24)26-21-18(16)30-22(27-21)17-13-4-2-3-5-15(13)29-20(17)25/h6-9,16,26H,2-5,24-25H2,1H3
InChIKey HQDYGTQLUVBOIQ-UHFFFAOYSA-N
Mol Weight 435.56 g/mol
Molecular Formula C22H21N5OS2
Exact Mass 435.118753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zN9ZrmReCA
Name 5-Amino-2-(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-methoxyphenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Canary yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5OS2
InChI InChI=1S/C22H21N5OS2/c1-28-12-8-6-11(7-9-12)16-14(10-23)19(24)26-21-18(16)30-22(27-21)17-13-4-2-3-5-15(13)29-20(17)25/h6-9,16,26H,2-5,24-25H2,1H3
InChIKey HQDYGTQLUVBOIQ-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 435.564 g/mol
SMILES N1C(=C(C(c2c1nc(-c1c3c(sc1N)CCCC3)s2)c1ccc(cc1)OC)C#N)N
SPLASH splash10-0002-0090000000-7bddd4a3b52a52cb1c5b
Source of Spectrum Y-56-3025-5c
Wiley ID 1859342