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4-(1-(tert-butyl)-1H-tetrazol-5-yl)-6-methyl-3-phenyl-3,4-dihydroquinazoline-2(1H)-thione
SpectraBase Compound ID E2dKthtp9il
InChI InChI=1S/C20H22N6S/c1-13-10-11-16-15(12-13)17(18-22-23-24-26(18)20(2,3)4)25(19(27)21-16)14-8-6-5-7-9-14/h5-12,17H,1-4H3,(H,21,27)
InChIKey CPUKPLCQGZDPMW-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C20H22N6S
Exact Mass 378.162666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMZ0Y0l0R9U
Name 4-(1-(tert-butyl)-1H-tetrazol-5-yl)-6-methyl-3-phenyl-3,4-dihydroquinazoline-2(1H)-thione
Appearance White solid
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Formula C20H22N6S
InChI InChI=1S/C20H22N6S/c1-13-10-11-16-15(12-13)17(18-22-23-24-26(18)20(2,3)4)25(19(27)21-16)14-8-6-5-7-9-14/h5-12,17H,1-4H3,(H,21,27)
InChIKey CPUKPLCQGZDPMW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 378.498 g/mol
SMILES N1c2ccc(cc2C(N(C1=S)c1ccccc1)c1[n](nnn1)C(C)(C)C)C
SPLASH splash10-0udi-0490000000-af2c3f2b95b7bca4c6d7
Source of Spectrum CN109776501A
Wiley ID 1872741