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5-[(E)-3-(methylthio)but-1-enyl]-6-(4-morpholinyl)-2,3-diphenyl-4-pyrimidinone
SpectraBase Compound ID Cqv6Pl2UOzy
InChI InChI=1S/C25H27N3O2S/c1-19(31-2)13-14-22-24(27-15-17-30-18-16-27)26-23(20-9-5-3-6-10-20)28(25(22)29)21-11-7-4-8-12-21/h3-14,19H,15-18H2,1-2H3/b14-13+
InChIKey NETLBMPGKGPGRR-BUHFOSPRSA-N
Mol Weight 433.57 g/mol
Molecular Formula C25H27N3O2S
Exact Mass 433.182398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTHyJTxhGfv
Name 5-[(E)-3-(methylthio)but-1-enyl]-6-(4-morpholinyl)-2,3-diphenyl-4-pyrimidinone
Alternate Name(s) 5-[(E)-3-(methylthio)but-1-enyl]-6-morpholino-2,3-diphenyl-pyrimidin-4-one 5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholin-4-yl-2,3-diphenyl-pyrimidin-4-one 5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholino-2,3-diphenyl-pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O2S
InChI InChI=1S/C25H27N3O2S/c1-19(31-2)13-14-22-24(27-15-17-30-18-16-27)26-23(20-9-5-3-6-10-20)28(25(22)29)21-11-7-4-8-12-21/h3-14,19H,15-18H2,1-2H3/b14-13+
InChIKey NETLBMPGKGPGRR-BUHFOSPRSA-N
Molecular Weight 433.570 g/mol
SMILES C1(=C(N=C(N(C1=O)c1ccccc1)c1ccccc1)N1CCOCC1)\C=C\C(SC)C
SPLASH splash10-0040-5609000000-707acc9cd7732474d132
Source of Spectrum AT-39-7208-6
Wiley ID 854261