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5-(Benzo[d]thiazol-2-yl)-3-(4-bromophenyl)-6-mercaptothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID KxdPoZWIRtX
InChI InChI=1S/C19H10BrN3OS3/c20-10-5-7-11(8-6-10)23-9-21-15-14(19(25)27-16(15)18(23)24)17-22-12-3-1-2-4-13(12)26-17/h1-9,25H
InChIKey IUSZSTGKKUDCFG-UHFFFAOYSA-N
Mol Weight 472.39 g/mol
Molecular Formula C19H10BrN3OS3
Exact Mass 470.916938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYjLlI6GrCS
Name 5-(Benzo[d]thiazol-2-yl)-3-(4-bromophenyl)-6-mercaptothieno[2,3-d]pyrimidin-4(3H)-one
Appearance Chocolate brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H10BrN3OS3
InChI InChI=1S/C19H10BrN3OS3/c20-10-5-7-11(8-6-10)23-9-21-15-14(19(25)27-16(15)18(23)24)17-22-12-3-1-2-4-13(12)26-17/h1-9,25H
InChIKey IUSZSTGKKUDCFG-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3629
Molecular Weight 472.393 g/mol
SMILES Sc1c(-c2sc3c(n2)cccc3)c2c(s1)C(N(C=N2)c1ccc(cc1)Br)=O
SPLASH splash10-052f-9300000000-61a56d9a51301137cc10
Source of Spectrum Y-56-SM42-24
Wiley ID 1861239