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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[(3,4-dimethoxyphenyl)methylene]-2-heptyl-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID MM5G9hzzvu
InChI InChI=1S/C21H26N4O3S/c1-4-5-6-7-8-9-18-24-25-19(22)15(20(26)23-21(25)29-18)12-14-10-11-16(27-2)17(13-14)28-3/h10-13,22H,4-9H2,1-3H3/b15-12-,22-19?
InChIKey YCQFUYHXDIIOGK-FDXKLOFQSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EorURL6HYLl
Name (6Z)-2-heptyl-5-imino-6-veratrylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6Z)-5-azanylidene-6-[(3,4-dimethoxyphenyl)methylidene]-2-heptyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-(3,4-dimethoxybenzylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(3,4-dimethoxyphenyl)methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C21H26N4O3S
InChI InChI=1S/C21H26N4O3S/c1-4-5-6-7-8-9-18-24-25-19(22)15(20(26)23-21(25)29-18)12-14-10-11-16(27-2)17(13-14)28-3/h10-13,22H,4-9H2,1-3H3/b15-12-,22-19?
InChIKey YCQFUYHXDIIOGK-FDXKLOFQSA-N
Molecular Weight 414.524 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCCCCCC)S2)=C\c1cc(OC)c(cc1)OC
SPLASH splash10-00kf-9831000000-c75c384cc761e721d6c0
Wiley ID 1453440