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2-(4-Methylphenyl)-8-oxo-4-phenyl-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
SpectraBase Compound ID H4kDQnvF0np
InChI InChI=1S/C21H19N5O.ClH/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(22-17)25-12-11-19(27)23-20(25)24-26;/h2-10,13,18H,11-12H2,1H3,(H,23,24,27);1H
InChIKey WVADAUAUWUFDSN-UHFFFAOYSA-N
Mol Weight 393.88 g/mol
Molecular Formula C21H20ClN5O
Exact Mass 393.135638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21Kw2RS3Nvt
Name 2-(4-Methylphenyl)-8-oxo-4-phenyl-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
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Formula C21H20ClN5O
InChI InChI=1S/C21H19N5O.ClH/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(22-17)25-12-11-19(27)23-20(25)24-26;/h2-10,13,18H,11-12H2,1H3,(H,23,24,27);1H
InChIKey WVADAUAUWUFDSN-UHFFFAOYSA-N
Molecular Weight 393.878 g/mol
SMILES [Cl-].N1C(CC[n]2c1n[n+]1c2NC(=CC1c1ccccc1)c1ccc(C)cc1)=O
SPLASH splash10-0019-9040000000-1954c0c59d3376c5e2a4
Source of Spectrum F-70-696-8d
Synonyms 8-Oxo-4-phenyl-2-(p-tolyl)-1,4,7,8,9,10-hexahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
Wiley ID 1742571