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Summary Geometry Related PDB entries

5ZN

Summary

Name:	2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde
Formula:	C16 H15 Cl N4 O4
Formal charge:	0
Formula weight:	362.768 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde
OpenEye OEToolkits	2.0.7	4-[4-[[2,6-bis(oxidanylidene)-5~{H}-pyrimidin-4-yl]carbonyl]piperazin-1-yl]-2-chloranyl-benzaldehyde

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C=1CC(=O)NC(=O)N=1)N1CCN(CC1)c1ccc(C=O)c(Cl)c1
InChI	InChI	1.03	InChI=1S/C16H15ClN4O4/c17-12-7-11(2-1-10(12)9-22)20-3-5-21(6-4-20)15(24)13-8-14(23)19-16(25)18-13/h1-2,7,9H,3-6,8H2,(H,19,23,25)
InChIKey	InChI	1.03	KUILKXDVCXJXPR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cc(ccc1C=O)N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3
SMILES	CACTVS	3.385	Clc1cc(ccc1C=O)N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O

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