Chemical Components in the PDB

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UUN : Summary

Code

UUN

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 12.01 N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
OpenEye OEToolkits 1.7.6 N-oxidanyl-2-[(6-oxidanylidene-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Formula

C12 H11 N3 O3 S

Formal charge

0

Molecular weight

277.299 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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)

IUPAC InChI key

HEUAAARBOBGFCJ-UHFFFAOYSA-N
UUN

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-03-16

Last modified at

2017-03-24

Status

Released

Obsoleted

Not Assigned