Chemical Components in the PDB

pdbe.org/chem
spacer

9UW : Summary

Code

9UW

One-letter code

X

Molecule name

2-sulfanylideneimidazol-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-sulfanylideneimidazol-4-one

Formula

C3 H2 N2 O S

Formal charge

0

Molecular weight

114.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C1NC(=S)N=C1
SMILES OpenEye OEToolkits 2.0.6 C1=NC(=S)NC1=O
Canonical SMILES CACTVS 3.385 O=C1NC(=S)N=C1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1=NC(=S)NC1=O

IUPAC InChI

InChI=1S/C3H2N2OS/c6-2-1-4-3(7)5-2/h1H,(H,5,6,7)

IUPAC InChI key

KAKLKODZMNCHIC-UHFFFAOYSA-N
9UW

wwPDB Information

Atom count

9 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-14

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned