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8-[2-(2,4-dichlorophenoxy)ethoxy]-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-[2-(2,4-dichlorophenoxy)ethoxy]-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID A7n2ioZSLw4
InChI InChI=1S/C22H19Cl2FN4O4/c1-27-18-19(26-21(27)33-10-9-32-17-8-5-14(23)11-16(17)24)28(2)22(31)29(20(18)30)12-13-3-6-15(25)7-4-13/h3-8,11H,9-10,12H2,1-2H3
InChIKey AIOPZHHFHVPYQI-UHFFFAOYSA-N
Mol Weight 493.32 g/mol
Molecular Formula C22H19Cl2FN4O4
Exact Mass 492.076739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Rpj7463RdI
Name 8-[2-(2,4-Dichlorophenoxy)ethoxy]-1-(4-fluorobenzyl)-3,7-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 492.076738667 u
Formula C22H19Cl2FN4O4
InChI InChI=1S/C22H19Cl2FN4O4/c1-27-18-19(26-21(27)33-10-9-32-17-8-5-14(23)11-16(17)24)28(2)22(31)29(20(18)30)12-13-3-6-15(25)7-4-13/h3-8,11H,9-10,12H2,1-2H3
InChIKey AIOPZHHFHVPYQI-UHFFFAOYSA-N
Molecular Weight 493.322 g/mol
SMILES C12=C(N(C)C(N(C2=O)CC=2C=CC(=CC2)F)=O)N=C(N1C)OCCOC=1C(=CC(=CC1)Cl)Cl