Chemical Components in the PDB

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D7W : Summary

Code

D7W

One-letter code

X

Molecule name

1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea

Formula

C11 H11 Cl N4 O2

Formal charge

0

Molecular weight

266.684 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2
SMILES OpenEye OEToolkits 2.0.6 CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl
Canonical SMILES CACTVS 3.385 CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl

IUPAC InChI

InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)

IUPAC InChI key

DWPQODZAOSWNHB-UHFFFAOYSA-N
D7W

wwPDB Information

Atom count

29 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-08

Last modified at

2018-03-02

Status

Released

Obsoleted

Not Assigned