Chemical Components in the PDB

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MMZ : Summary

Code

MMZ

One-letter code

X

Molecule name

1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE

Synonyms

METHIMAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-methyl-1,3-dihydro-2H-imidazole-2-thione
OpenEye OEToolkits 1.5.0 1-methyl-3H-imidazole-2-thione

Formula

C4 H6 N2 S

Formal charge

0

Molecular weight

114.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 S=C1N(C=CN1)C
SMILES CACTVS 3.341 CN1C=CNC1=S
SMILES OpenEye OEToolkits 1.5.0 CN1C=CNC1=S
Canonical SMILES CACTVS 3.341 CN1C=CNC1=S
Canonical SMILES OpenEye OEToolkits 1.5.0 CN1C=CNC1=S

IUPAC InChI

InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

IUPAC InChI key

PMRYVIKBURPHAH-UHFFFAOYSA-N
MMZ

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-05-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned