2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(4-fluorophenoxy)phenyl]acetamide

SpectraBase Compound ID	FsU9zm4zNVU
InChI	InChI=1S/C21H18FN5O4/c1-25-19-18(20(29)26(2)21(25)30)27(12-23-19)11-17(28)24-14-5-9-16(10-6-14)31-15-7-3-13(22)4-8-15/h3-10,12H,11H2,1-2H3,(H,24,28)
InChIKey	SXSCQJCZTSRVAM-UHFFFAOYSA-N Google Search
Mol Weight	423.4 g/mol
Molecular Formula	C21H18FN5O4
Exact Mass	423.134282 g/mol

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SpectraBase Spectrum ID	IVHYzU24Q26
Name	2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(4-fluorophenoxy)phenyl]acetamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	423.134282239 u
Formula	C21H18FN5O4
InChI	InChI=1S/C21H18FN5O4/c1-25-19-18(20(29)26(2)21(25)30)27(12-23-19)11-17(28)24-14-5-9-16(10-6-14)31-15-7-3-13(22)4-8-15/h3-10,12H,11H2,1-2H3,(H,24,28)
InChIKey	SXSCQJCZTSRVAM-UHFFFAOYSA-N
Molecular Weight	423.404 g/mol
SMILES	N(C(CN1C2=C(N(C(N(C)C2=O)=O)C)N=C1)=O)C1=CC=C(OC2=CC=C(C=C2)F)C=C1