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Thiazolo[4,5-d]pyrimidine-2(3H)-thione, 7-(hexahydro-1H-azepin-1-yl)-3,5-diphenyl-
SpectraBase Compound ID 8qzE6ZLSDaZ
InChI InChI=1S/C23H22N4S2/c28-23-27(18-13-7-4-8-14-18)22-19(29-23)21(26-15-9-1-2-10-16-26)24-20(25-22)17-11-5-3-6-12-17/h3-8,11-14H,1-2,9-10,15-16H2
InChIKey XNHXZYDFKKKWQE-UHFFFAOYSA-N
Mol Weight 418.58 g/mol
Molecular Formula C23H22N4S2
Exact Mass 418.128589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B244i69Q8jp
Name Thiazolo[4,5-d]pyrimidine-2(3H)-thione, 7-(hexahydro-1H-azepin-1-yl)-3,5-diphenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N4S2
InChI InChI=1S/C23H22N4S2/c28-23-27(18-13-7-4-8-14-18)22-19(29-23)21(26-15-9-1-2-10-16-26)24-20(25-22)17-11-5-3-6-12-17/h3-8,11-14H,1-2,9-10,15-16H2
InChIKey XNHXZYDFKKKWQE-UHFFFAOYSA-N
Molecular Weight 418.577 g/mol
SMILES c12c(SC(N2c2ccccc2)=S)c(N2CCCCCC2)nc(n1)-c1ccccc1
SPLASH splash10-016r-2329600000-c2118a805788d668bcda
Source of Spectrum IY-1-4599-4
Synonyms 7-(1-azepanyl)-3,5-diphenyl-2-thiazolo[4,5-d]pyrimidinethione 7-(azepan-1-yl)-3,5-diphenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Wiley ID 1653977