7-[(2-Chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione

SpectraBase Compound ID	AMmgP4WTF3w
InChI	InChI=1S/C24H22ClFN4O4/c1-4-6-19(31)14-9-11-15(12-10-14)34-23-27-21-20(22(32)29(3)24(33)28(21)2)30(23)13-16-17(25)7-5-8-18(16)26/h5,7-12H,4,6,13H2,1-3H3
InChIKey	VTMYKXPPUSEQSX-UHFFFAOYSA-N Google Search
Mol Weight	484.92 g/mol
Molecular Formula	C24H22ClFN4O4
Exact Mass	484.131361 g/mol

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SpectraBase Spectrum ID	FxnsX5LbkvU
Name	7-[(2-Chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	484.131361063 u
Formula	C24H22ClFN4O4
InChI	InChI=1S/C24H22ClFN4O4/c1-4-6-19(31)14-9-11-15(12-10-14)34-23-27-21-20(22(32)29(3)24(33)28(21)2)30(23)13-16-17(25)7-5-8-18(16)26/h5,7-12H,4,6,13H2,1-3H3
InChIKey	VTMYKXPPUSEQSX-UHFFFAOYSA-N
Molecular Weight	484.915 g/mol
SMILES	C1(=O)N(C=2N=C(N(C2C(=O)N1C)CC1=C(C=CC=C1F)Cl)OC1=CC=C(C=C1)C(=O)CCC)C