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1-(3-Methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

1-(3-Methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione
SpectraBase Compound ID 8AA2x03I3ut
InChI InChI=1S/C19H21N5O2/c1-14-4-2-5-15(12-14)24-17(25)13-16(18(24)26)22-8-10-23(11-9-22)19-20-6-3-7-21-19/h2-7,12,16H,8-11,13H2,1H3
InChIKey VRYAQJRLWXWOEY-UHFFFAOYSA-N
Mol Weight 351.41 g/mol
Molecular Formula C19H21N5O2
Exact Mass 351.169525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ar8Gfwm8HY
Name 1-(3-Methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.169524934 u
Formula C19H21N5O2
InChI InChI=1S/C19H21N5O2/c1-14-4-2-5-15(12-14)24-17(25)13-16(18(24)26)22-8-10-23(11-9-22)19-20-6-3-7-21-19/h2-7,12,16H,8-11,13H2,1H3
InChIKey VRYAQJRLWXWOEY-UHFFFAOYSA-N
Molecular Weight 351.410 g/mol
SMILES CC=1C=C(N2C(C(N3CCN(C4=NC=CC=N4)CC3)CC2=O)=O)C=CC1