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(6Z)-5-azanylidene-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(6Z)-5-azanylidene-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID AnX69XtVgb9
InChI InChI=1S/C25H26N4O3S/c1-15(2)24-28-29-22(26)21(23(30)27-25(29)33-24)14-18-6-5-7-19(13-18)31-10-11-32-20-9-8-16(3)17(4)12-20/h5-9,12-15,26H,10-11H2,1-4H3/b21-14-,26-22?
InChIKey SIRZQPQOXVEXSB-TUKHXMGSSA-N
Mol Weight 462.57 g/mol
Molecular Formula C25H26N4O3S
Exact Mass 462.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SssiZznr7W
Name (6Z)-5-azanylidene-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N4O3S
InChI InChI=1S/C25H26N4O3S/c1-15(2)24-28-29-22(26)21(23(30)27-25(29)33-24)14-18-6-5-7-19(13-18)31-10-11-32-20-9-8-16(3)17(4)12-20/h5-9,12-15,26H,10-11H2,1-4H3/b21-14-,26-22?
InChIKey SIRZQPQOXVEXSB-TUKHXMGSSA-N
Molecular Weight 462.568 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1cc(OCCOc2cc(C)c(cc2)C)ccc1
SPLASH splash10-05i3-8900000000-2d2d9055b0b97b896a8a
Synonyms (6Z)-6-[3-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453881