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4(3H)-Quinazolinone, 2-[[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methyl]thio]-3-(phenylmethyl)-
SpectraBase Compound ID A7OtJAHDOeg
InChI InChI=1S/C27H28N2O2S/c1-18(2)23-15-21(19(3)14-25(23)31-4)17-32-27-28-24-13-9-8-12-22(24)26(30)29(27)16-20-10-6-5-7-11-20/h5-15,18H,16-17H2,1-4H3
InChIKey JCZCIEOAGQDLQP-UHFFFAOYSA-N
Mol Weight 444.59 g/mol
Molecular Formula C27H28N2O2S
Exact Mass 444.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pUvdmYsZS
Name 4(3H)-Quinazolinone, 2-[[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methyl]thio]-3-(phenylmethyl)-
Alternate Name(s) 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylthio]-3-(phenylmethyl)-4-quinazolinone 3-Benzyl-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]quinazolin-4-one 3-Benzyl-2-[(5-isopropyl-4-methoxy-2-methyl-phenyl)methylsulfanyl]quinazolin-4-one 2-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one
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Formula C27H28N2O2S
InChI InChI=1S/C27H28N2O2S/c1-18(2)23-15-21(19(3)14-25(23)31-4)17-32-27-28-24-13-9-8-12-22(24)26(30)29(27)16-20-10-6-5-7-11-20/h5-15,18H,16-17H2,1-4H3
InChIKey JCZCIEOAGQDLQP-UHFFFAOYSA-N
Molecular Weight 444.593 g/mol
SMILES c1ccccc1CN1C(c2c(N=C1SCc1cc(c(OC)cc1C)C(C)C)cccc2)=O
SPLASH splash10-004i-3900000000-9f2d00f3384262883d24
Source of Spectrum IY-1-4677-0
Wiley ID 1654753