5ZW

6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione

Created:	2021-07-30
Last modified:	2021-11-10

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1 entries where 5ZW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

2D diagram of 5ZW

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Chemical Component Summary
Name	6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	6-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione
Formula	C₁₅ H₁₅ Cl N₄ O₃
Molecular Weight	334.758
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(Cl)cc1
SMILES	CACTVS	3.385	Clc1ccc(cc1)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(cc1)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl
InChI	InChI	1.03	InChI=1S/C15H15ClN4O3/c16-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(22)12-9-13(21)18-15(23)17-12/h1-4,9H,5-8H2,(H2,17,18,21,23)
InChIKey	InChI	1.03	UPTYXISDRSIHCH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156905887

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.