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6-(dimethylamino)-5-[(E)-3-(methylthio)but-1-enyl]-2,3-diphenyl-4-pyrimidinone
SpectraBase Compound ID At2BjKHkWv1
InChI InChI=1S/C23H25N3OS/c1-17(28-4)15-16-20-22(25(2)3)24-21(18-11-7-5-8-12-18)26(23(20)27)19-13-9-6-10-14-19/h5-17H,1-4H3/b16-15+
InChIKey XMQYLYAFSXNJDM-FOCLMDBBSA-N
Mol Weight 391.53 g/mol
Molecular Formula C23H25N3OS
Exact Mass 391.171834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLpiytMPDOc
Name 6-(dimethylamino)-5-[(E)-3-(methylthio)but-1-enyl]-2,3-diphenyl-4-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3OS
InChI InChI=1S/C23H25N3OS/c1-17(28-4)15-16-20-22(25(2)3)24-21(18-11-7-5-8-12-18)26(23(20)27)19-13-9-6-10-14-19/h5-17H,1-4H3/b16-15+
InChIKey XMQYLYAFSXNJDM-FOCLMDBBSA-N
Molecular Weight 391.533 g/mol
SMILES C=1(C(N(c2ccccc2)C(=NC1N(C)C)c1ccccc1)=O)\C=C\C(SC)C
SPLASH splash10-004i-9400000000-38c4750b723a028872f6
Source of Spectrum K-2002-780-10
Synonyms 6-(dimethylamino)-5-[(E)-3-(methylthio)but-1-enyl]-2,3-diphenyl-pyrimidin-4-one 6-(dimethylamino)-5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenyl-pyrimidin-4-one
Wiley ID 1581093