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5-benzyl-5-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 9rqrf7OaukF
InChI InChI=1S/C25H30N4O4/c1-26-22(30)25(23(31)27(2)24(26)32,17-19-9-5-4-6-10-19)18-28-13-15-29(16-14-28)20-11-7-8-12-21(20)33-3/h4-12H,13-18H2,1-3H3
InChIKey NZCKZCZVTYWQHU-UHFFFAOYSA-N
Mol Weight 450.54 g/mol
Molecular Formula C25H30N4O4
Exact Mass 450.226705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3t6lciI3CXx
Name 5-Benzyl-5-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.226705458 u
Formula C25H30N4O4
InChI InChI=1S/C25H30N4O4/c1-26-22(30)25(23(31)27(2)24(26)32,17-19-9-5-4-6-10-19)18-28-13-15-29(16-14-28)20-11-7-8-12-21(20)33-3/h4-12H,13-18H2,1-3H3
InChIKey NZCKZCZVTYWQHU-UHFFFAOYSA-N
Molecular Weight 450.539 g/mol
SMILES C1(C(N(C)C(N(C1=O)C)=O)=O)(CN1CCN(CC1)C1=C(OC)C=CC=C1)CC1=CC=CC=C1