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5LU : Summary

Code

5LU

One-letter code

X

Molecule name

Prochloraz

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 ~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide

Formula

C15 H16 Cl3 N3 O2

Formal charge

0

Molecular weight

376.665 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
SMILES OpenEye OEToolkits 2.0.4 CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2
Canonical SMILES CACTVS 3.385 CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
Canonical SMILES OpenEye OEToolkits 2.0.4 CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2

IUPAC InChI

InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3

IUPAC InChI key

TVLSRXXIMLFWEO-UHFFFAOYSA-N
5LU

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-21

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned