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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[(2-methylphenyl)methylene]-, (6Z)-
SpectraBase Compound ID 8hpntj7vjcE
InChI InChI=1S/C16H16N4OS/c1-9(2)15-19-20-13(17)12(14(21)18-16(20)22-15)8-11-7-5-4-6-10(11)3/h4-9,17H,1-3H3/b12-8-,17-13?
InChIKey GEYIBBROMSFRDP-XWFJYDPRSA-N
Mol Weight 312.39 g/mol
Molecular Formula C16H16N4OS
Exact Mass 312.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3R4w6CSgdBv
Name (6Z)-5-azanylidene-6-[(2-methylphenyl)methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6Z)-5-imino-2-isopropyl-6-(2-methylbenzylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-isopropyl-6-(o-tolylmethylene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[(2-methylphenyl)methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C16H16N4OS
InChI InChI=1S/C16H16N4OS/c1-9(2)15-19-20-13(17)12(14(21)18-16(20)22-15)8-11-7-5-4-6-10(11)3/h4-9,17H,1-3H3/b12-8-,17-13?
InChIKey GEYIBBROMSFRDP-XWFJYDPRSA-N
Molecular Weight 312.391 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1c(C)cccc1
SPLASH splash10-00r6-5910000000-a757179452b4b8219db2
Wiley ID 1453373