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4-(1-butyl-1H-tetrazol-5-yl)-3-(4-chlorophenyl)-6-methyl-3,4-dihydroquinazoline-2(1H)-thione
SpectraBase Compound ID 5OWuLQ2IeZg
InChI InChI=1S/C20H21ClN6S/c1-3-4-11-26-19(23-24-25-26)18-16-12-13(2)5-10-17(16)22-20(28)27(18)15-8-6-14(21)7-9-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,22,28)
InChIKey VHOUDMGGAMOONP-UHFFFAOYSA-N
Mol Weight 412.94 g/mol
Molecular Formula C20H21ClN6S
Exact Mass 412.123694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1EI7uhayyy
Name 4-(1-butyl-1H-tetrazol-5-yl)-3-(4-chlorophenyl)-6-methyl-3,4-dihydroquinazoline-2(1H)-thione
Appearance White solid
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Formula C20H21ClN6S
InChI InChI=1S/C20H21ClN6S/c1-3-4-11-26-19(23-24-25-26)18-16-12-13(2)5-10-17(16)22-20(28)27(18)15-8-6-14(21)7-9-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,22,28)
InChIKey VHOUDMGGAMOONP-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 412.943 g/mol
SMILES N1c2ccc(cc2C(N(C1=S)c1ccc(cc1)Cl)c1[n](nnn1)CCCC)C
SPLASH splash10-000i-0930000000-7f439647499464d1301e
Source of Spectrum CN109776501A
Wiley ID 1872742