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1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
SpectraBase Compound ID 7nbSakHQDFh
InChI InChI=1S/C20H27N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h5,8-9H,1-4,6-7,10-15H2
InChIKey FOXGRGNFGFJNLZ-UHFFFAOYSA-N
Mol Weight 369.47 g/mol
Molecular Formula C20H27N5O2
Exact Mass 369.216475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlIRsjNFQiE
Name 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.216475127 u
Formula C20H27N5O2
InChI InChI=1S/C20H27N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h5,8-9H,1-4,6-7,10-15H2
InChIKey FOXGRGNFGFJNLZ-UHFFFAOYSA-N
Molecular Weight 369.469 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)CCCCN1CCN(CC1)C=1N=CC=CN1)=O