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8-(1,3-benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-(1,3-benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EVAQaDA4OdU
InChI InChI=1S/C21H17FN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-4-3-5-13(22)8-12)20(23-18)31-14-6-7-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3
InChIKey GCGJPJWHESQKOF-UHFFFAOYSA-N
Mol Weight 424.39 g/mol
Molecular Formula C21H17FN4O5
Exact Mass 424.118298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2R3CV5x8Ziw
Name 8-(1,3-Benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-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 424.118297821 u
Formula C21H17FN4O5
InChI InChI=1S/C21H17FN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-4-3-5-13(22)8-12)20(23-18)31-14-6-7-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3
InChIKey GCGJPJWHESQKOF-UHFFFAOYSA-N
Molecular Weight 424.388 g/mol
SMILES C12=C(N(CC=3C=C(F)C=CC3)C(=N1)OC=1C=C3OCOC3=CC1)C(=O)N(C(N2C)=O)C