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2-[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]-N-(1-naphthyl)butanamide

View entire compound with spectra: 2 NMR

2-[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]-N-(1-naphthyl)butanamide
SpectraBase Compound ID G4iSet2zwb
InChI InChI=1S/C25H23N3OS/c1-3-23(24(29)27-21-15-9-13-18-10-7-8-14-20(18)21)30-25-26-17(2)16-22(28-25)19-11-5-4-6-12-19/h4-16,23H,3H2,1-2H3,(H,27,29)
InChIKey LZGHPNMDCRCEHB-UHFFFAOYSA-N
Mol Weight 413.54 g/mol
Molecular Formula C25H23N3OS
Exact Mass 413.156184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjHfwOQ7UfC
Name 2-[(4-Methyl-6-phenyl-2-pyrimidinyl)sulfanyl]-N-(1-naphthyl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.156183546 u
Formula C25H23N3OS
InChI InChI=1S/C25H23N3OS/c1-3-23(24(29)27-21-15-9-13-18-10-7-8-14-20(18)21)30-25-26-17(2)16-22(28-25)19-11-5-4-6-12-19/h4-16,23H,3H2,1-2H3,(H,27,29)
InChIKey LZGHPNMDCRCEHB-UHFFFAOYSA-N
Molecular Weight 413.539 g/mol
SMILES N(C(C(SC1=NC(C2=CC=CC=C2)=CC(=N1)C)CC)=O)C1=C2C(C=CC=C2)=CC=C1