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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)-
SpectraBase Compound ID 9ecF7XLzYV5
InChI InChI=1S/C25H26N4O3S/c1-4-6-22-28-29-23(26)21(24(30)27-25(29)33-22)15-18-7-5-8-19(14-18)31-11-12-32-20-10-9-16(2)17(3)13-20/h5,7-10,13-15,26H,4,6,11-12H2,1-3H3/b21-15-,26-23?
InChIKey OINIXFOQAFGLNG-VHDUERLVSA-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 4GYhTEc9Mfq
Name (6Z)-5-azanylidene-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-propyl-[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/c1-4-6-22-28-29-23(26)21(24(30)27-25(29)33-22)15-18-7-5-8-19(14-18)31-11-12-32-20-10-9-16(2)17(3)13-20/h5,7-10,13-15,26H,4,6,11-12H2,1-3H3/b21-15-,26-23?
InChIKey OINIXFOQAFGLNG-VHDUERLVSA-N
Molecular Weight 462.568 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCC)S2)=C\c1cc(OCCOc2cc(C)c(cc2)C)ccc1
SPLASH splash10-05i0-6900000000-cd2ab1e0eb6e12e9e0bb
Synonyms (6Z)-6-[3-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-{3-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453858