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8-[4-(3-chlorophenyl)-1-piperazinyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-[4-(3-chlorophenyl)-1-piperazinyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID L1FWwFdQLwW
InChI InChI=1S/C20H25ClN6O3/c1-23-17-16(18(28)24(2)20(23)29)27(11-12-30-3)19(22-17)26-9-7-25(8-10-26)15-6-4-5-14(21)13-15/h4-6,13H,7-12H2,1-3H3
InChIKey HBOWVCFLSGDIJP-UHFFFAOYSA-N
Mol Weight 432.91 g/mol
Molecular Formula C20H25ClN6O3
Exact Mass 432.167666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUI7AxeM0Lv
Name 8-[4-(3-Chlorophenyl)-1-piperazinyl]-7-(2-methoxyethyl)-1,3-dimethyl-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 432.167666386 u
Formula C20H25ClN6O3
InChI InChI=1S/C20H25ClN6O3/c1-23-17-16(18(28)24(2)20(23)29)27(11-12-30-3)19(22-17)26-9-7-25(8-10-26)15-6-4-5-14(21)13-15/h4-6,13H,7-12H2,1-3H3
InChIKey HBOWVCFLSGDIJP-UHFFFAOYSA-N
Molecular Weight 432.912 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCOC)C(=N1)N1CCN(CC1)C=1C=C(Cl)C=CC1