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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)-
SpectraBase Compound ID Lcp8d4D6ywG
InChI InChI=1S/C25H25ClN4O5S/c1-4-6-21-29-30-23(27)18(24(31)28-25(30)36-21)11-15-12-19(26)22(20(13-15)33-3)35-10-9-34-17-8-5-7-16(14-17)32-2/h5,7-8,11-14,27H,4,6,9-10H2,1-3H3/b18-11-,27-23?
InChIKey JAKUKBFMLHNMQV-PEYOBPGZSA-N
Mol Weight 529.01 g/mol
Molecular Formula C25H25ClN4O5S
Exact Mass 528.123419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J85UZmZUbcF
Name (6Z)-5-azanylidene-6-[[3-chloranyl-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C25H25ClN4O5S
InChI InChI=1S/C25H25ClN4O5S/c1-4-6-21-29-30-23(27)18(24(31)28-25(30)36-21)11-15-12-19(26)22(20(13-15)33-3)35-10-9-34-17-8-5-7-16(14-17)32-2/h5,7-8,11-14,27H,4,6,9-10H2,1-3H3/b18-11-,27-23?
InChIKey JAKUKBFMLHNMQV-PEYOBPGZSA-N
Molecular Weight 529.011 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCC)S2)=C\c1cc(Cl)c(c(c1)OC)OCCOc1cc(OC)ccc1
SPLASH splash10-0f96-9700000000-b7ec309bf665aedccf58
Synonyms (6Z)-6-[3-chloro-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]benzylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-chloro-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-chloro-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453914