UUN

N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide

Created:	2016-03-16
Last modified:	2017-03-29

Find Related PDB Entry
1 entries where UUN is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

2D diagram of UUN

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Systematic Name (OpenEye OEToolkits)	N-oxidanyl-2-[(6-oxidanylidene-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide
Formula	C₁₂ H₁₁ N₃ O₃ S
Molecular Weight	277.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(NO)=O
SMILES	CACTVS	3.385	ONC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO
Canonical SMILES	CACTVS	3.385	ONC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO
InChI	InChI	1.03	InChI=1S/C12H11N3O3S/c16-10-6-9(8-4-2-1-3-5-8)13-12(14-10)19-7-11(17)15-18/h1-6,18H,7H2,(H,15,17)(H,13,14,16)
InChIKey	InChI	1.03	HEUAAARBOBGFCJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135567130, 124222716

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.