Chemical Components in the PDB

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CLU : Summary

Code

CLU

One-letter code

X

Molecule name

2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-dichloro-N-imidazolidin-2-ylideneaniline
OpenEye OEToolkits 1.5.0 N-(2,6-dichlorophenyl)imidazolidin-2-imine

Formula

C9 H9 Cl2 N3

Formal charge

0

Molecular weight

230.094 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2c(\N=C1/NCCN1)c(Cl)ccc2
SMILES CACTVS 3.341 Clc1cccc(Cl)c1N=C2NCCN2
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)Cl)N=C2NCCN2)Cl
Canonical SMILES CACTVS 3.341 Clc1cccc(Cl)c1N=C2NCCN2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)Cl)N=C2NCCN2)Cl

IUPAC InChI

InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)

IUPAC InChI key

GJSURZIOUXUGAL-UHFFFAOYSA-N
CLU

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-05-01

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned