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Summary

Name:	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
Formula:	C25 H20 F N3 O4
Formal charge:	0
Formula weight:	445.442 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
OpenEye OEToolkits	2.0.7	7-[2-[2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethoxy]-4-fluoranyl-phenoxy]-5,8-dimethyl-naphthalene-2-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F)C
InChI	InChI	1.03	InChI=1S/C25H20FN3O4/c1-15-11-22(16(2)20-12-17(14-27)3-5-19(15)20)33-21-6-4-18(26)13-23(21)32-10-9-29-8-7-24(30)28-25(29)31/h3-8,11-13H,9-10H2,1-2H3,(H,28,30,31)
InChIKey	InChI	1.03	JOZUOHBWIKONKE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(Oc2ccc(F)cc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N
SMILES	CACTVS	3.385	Cc1cc(Oc2ccc(F)cc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F

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PDB entries from 2026-01-28

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