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Summary Geometry Related PDB entries

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Summary

Name:	N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide
Formula:	C12 H9 Cl2 N3 O3
Formal charge:	0
Formula weight:	314.124 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide
OpenEye OEToolkits	2.0.7	2-[2,6-bis(oxidanylidene)-5~{H}-pyrimidin-4-yl]-~{N}-(2,4-dichlorophenyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=C(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N1
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
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(NC(=O)CC2=NC(=O)NC(=O)C2)c(Cl)c1
SMILES	CACTVS	3.385	Clc1ccc(NC(=O)CC2=NC(=O)NC(=O)C2)c(Cl)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)NC(=O)CC2=NC(=O)NC(=O)C2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)NC(=O)CC2=NC(=O)NC(=O)C2

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