Chemical Components in the PDB

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0VW : Summary

Code

0VW

One-letter code

X

Molecule name

N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide
OpenEye OEToolkits 1.7.6 2-sulfamoylimino-1,3-diazinane

Formula

C4 H10 N4 O2 S

Formal charge

0

Molecular weight

178.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(/N=C1\NCCCN1)N
SMILES CACTVS 3.370 N[S](=O)(=O)N=C1NCCCN1
SMILES OpenEye OEToolkits 1.7.6 C1CNC(=NS(=O)(=O)N)NC1
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)N=C1NCCCN1
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CNC(=NS(=O)(=O)N)NC1

IUPAC InChI

InChI=1S/C4H10N4O2S/c5-11(9,10)8-4-6-2-1-3-7-4/h1-3H2,(H2,5,9,10)(H2,6,7,8)

IUPAC InChI key

WLZUIFLLOQXTPI-UHFFFAOYSA-N
0VW

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-07-15

Last modified at

2013-07-12

Status

Released

Obsoleted

Not Assigned