5UC

5-chloropyrimidine-2,4(1H,3H)-dione

Created:	2014-10-28
Last modified:	2015-07-15

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1 entries where 5UC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

2D diagram of 5UC

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Chemical Component Summary
Name	5-chloropyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	5-chloranyl-1H-pyrimidine-2,4-dione
Formula	C₄ H₃ Cl N₂ O₂
Molecular Weight	146.532
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ClC1=CNC(=O)NC1=O
SMILES	CACTVS	3.385	ClC1=CNC(=O)NC1=O
SMILES	OpenEye OEToolkits	1.9.2	C1=C(C(=O)NC(=O)N1)Cl
Canonical SMILES	CACTVS	3.385	ClC1=CNC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1=C(C(=O)NC(=O)N1)Cl
InChI	InChI	1.03	InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey	InChI	1.03	ZFTBZKVVGZNMJR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15758
ChEMBL	CHEMBL144082
ChEBI	CHEBI:60762
CCDC/CSD	CATGIP, KIMRAC, KIMRUW

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.