WGW

N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide

Created:	2023-05-12
Last modified:	2023-06-14

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1 entries where WGW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of WGW

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Chemical Component Summary
Name	N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide
Systematic Name (OpenEye OEToolkits)	2-[2,6-bis(oxidanylidene)-5~{H}-pyrimidin-4-yl]-~{N}-(2,4-dichlorophenyl)ethanamide
Formula	C₁₂ H₉ Cl₂ N₃ O₃
Molecular Weight	314.124
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=C(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N1
SMILES	CACTVS	3.385	Clc1ccc(NC(=O)CC2=NC(=O)NC(=O)C2)c(Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)NC(=O)CC2=NC(=O)NC(=O)C2
Canonical SMILES	CACTVS	3.385	Clc1ccc(NC(=O)CC2=NC(=O)NC(=O)C2)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)NC(=O)CC2=NC(=O)NC(=O)C2
InChI	InChI	1.06	InChI=1S/C12H9Cl2N3O3/c13-6-1-2-9(8(14)3-6)16-10(18)4-7-5-11(19)17-12(20)15-7/h1-3H,4-5H2,(H,16,18)(H,17,19,20)
InChIKey	InChI	1.06	XZSIDAGQLQFSBS-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.