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1-(p-nitrophenyl)amino-4-(p-tolyl)-2-methylthiopyrimidinium iodide
SpectraBase Compound ID L6pKC2roQ3Z
InChI InChI=1S/C18H17N4O2S.HI/c1-13-3-5-14(6-4-13)17-11-12-21(18(19-17)25-2)20-15-7-9-16(10-8-15)22(23)24;/h3-12,20H,1-2H3;1H/q+1;/p-1
InChIKey DZSCFAHXPVDFDT-UHFFFAOYSA-M
Mol Weight 480.32 g/mol
Molecular Formula C18H17IN4O2S
Exact Mass 480.011692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5chIYl4by26
Name 1-(p-nitrophenyl)amino-4-(p-tolyl)-2-methylthiopyrimidinium iodide
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Formula C18H17IN4O2S
InChI InChI=1S/C18H17N4O2S.HI/c1-13-3-5-14(6-4-13)17-11-12-21(18(19-17)25-2)20-15-7-9-16(10-8-15)22(23)24;/h3-12,20H,1-2H3;1H/q+1;/p-1
InChIKey DZSCFAHXPVDFDT-UHFFFAOYSA-M
Molecular Weight 480.324 g/mol
SMILES [I-].N([n+]1c(nc(cc1)-c1ccc(C)cc1)SC)c1ccc(N(=O)=O)cc1
SPLASH splash10-014i-3972000000-8d7792729a4c8256485b
Source of Spectrum AH-120-754-3
Synonyms 4-(4-Methylphenyl)-2-(methylsulfanyl)-1-(4-nitroanilino)pyrimidin-1-ium iodide
Wiley ID 1395098