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7-(4-chlorobenzyl)-1,3-dimethyl-8-(1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

7-(4-chlorobenzyl)-1,3-dimethyl-8-(1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KjNJe8zjn7Z
InChI InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-3-5-13(19)6-4-12)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3
InChIKey SPMXGPZHMVGEIR-UHFFFAOYSA-N
Mol Weight 388.86 g/mol
Molecular Formula C18H21ClN6O2
Exact Mass 388.141452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5BrA3fTUUvF
Name 7-(4-Chlorobenzyl)-1,3-dimethyl-8-(1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.141451638 u
Formula C18H21ClN6O2
InChI InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-3-5-13(19)6-4-12)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3
InChIKey SPMXGPZHMVGEIR-UHFFFAOYSA-N
Molecular Weight 388.859 g/mol
SMILES N1CCN(CC1)C1=NC2=C(N1CC1=CC=C(C=C1)Cl)C(=O)N(C(N2C)=O)C