Chemical Components in the PDB

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VZM : Summary

Code

VZM

One-letter code

X

Molecule name

N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
OpenEye OEToolkits 2.0.7 1-(6-methoxypyridin-3-yl)-3-thiophen-2-yl-urea

Formula

C11 H11 N3 O2 S

Formal charge

0

Molecular weight

249.289 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c1cccs1)C(=O)Nc2cnc(cc2)OC
SMILES CACTVS 3.385 COc1ccc(NC(=O)Nc2sccc2)cn1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cn1)NC(=O)Nc2cccs2
Canonical SMILES CACTVS 3.385 COc1ccc(NC(=O)Nc2sccc2)cn1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cn1)NC(=O)Nc2cccs2

IUPAC InChI

InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)

IUPAC InChI key

QQTNSKDCQAMODS-UHFFFAOYSA-N
VZM

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-24

Last modified at

2020-11-06

Status

Released

Obsoleted

Not Assigned