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5-Ethoxycarbonyl-6-methyl-4-(2-(triphenylphosphoranylideneamino)phenyl)-3,4-dihydropyrimidin-2(1H)-thione

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5-Ethoxycarbonyl-6-methyl-4-(2-(triphenylphosphoranylideneamino)phenyl)-3,4-dihydropyrimidin-2(1H)-thione
SpectraBase Compound ID DK4GLc8PEcE
InChI InChI=1S/C32H30N3O2PS/c1-3-37-31(36)29-23(2)33-32(39)34-30(29)27-21-13-14-22-28(27)35-38(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h4-22,30H,3H2,1-2H3,(H2,33,34,39)
InChIKey YDUSODGFWYLCFN-UHFFFAOYSA-N
Mol Weight 551.6 g/mol
Molecular Formula C32H30N3O2PS
Exact Mass 551.179635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIEGo71EYYn
Name 5-Ethoxycarbonyl-6-methyl-4-(2-(triphenylphosphoranylideneamino)phenyl)-3,4-dihydropyrimidin-2(1H)-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.179635388 u
Formula C32H30N3O2PS
InChI InChI=1S/C32H30N3O2PS/c1-3-37-31(36)29-23(2)33-32(39)34-30(29)27-21-13-14-22-28(27)35-38(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h4-22,30H,3H2,1-2H3,(H2,33,34,39)
InChIKey YDUSODGFWYLCFN-UHFFFAOYSA-N
Molecular Weight 551.645 g/mol
SMILES C=1(C(NC(NC1C)=S)C=1C(N=P(C=2C=CC=CC2)(C=2C=CC=CC2)C=2C=CC=CC2)=CC=CC1)C(=O)OCC