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5-(4-chlorobenzyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone

View entire compound with spectra: 2 NMR

5-(4-chlorobenzyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
SpectraBase Compound ID 2xmdpyGkgf3
InChI InChI=1S/C22H22ClFN4O/c1-15-20(14-16-2-4-17(23)5-3-16)21(29)26-22(25-15)28-12-10-27(11-13-28)19-8-6-18(24)7-9-19/h2-9H,10-14H2,1H3,(H,25,26,29)
InChIKey SUSXODNKBWXBGV-UHFFFAOYSA-N
Mol Weight 412.9 g/mol
Molecular Formula C22H22ClFN4O
Exact Mass 412.146617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vBOaUQHIip
Name 5-(4-Chlorobenzyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.146617206 u
Formula C22H22ClFN4O
InChI InChI=1S/C22H22ClFN4O/c1-15-20(14-16-2-4-17(23)5-3-16)21(29)26-22(25-15)28-12-10-27(11-13-28)19-8-6-18(24)7-9-19/h2-9H,10-14H2,1H3,(H,25,26,29)
InChIKey SUSXODNKBWXBGV-UHFFFAOYSA-N
Molecular Weight 412.896 g/mol
SMILES N1C(C(=C(N=C1N1CCN(CC1)C1=CC=C(C=C1)F)C)CC=1C=CC(=CC1)Cl)=O