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- ChemComp-MMZ: 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE -

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Basic information

EntryDatabase: PDB chemical components / ID: MMZ
NameName: 1-methyl-1,3-dihydro-2H-imidazole-2-thione / Synonyms: METHIMAZOLE

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Chemical information

Composition
Formula: C4H6N2S / Number of atoms: 13 / Formula weight: 114.169 / Formal charge: 0
Others

2gvc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MMZ / Model coordinates PDB-ID: 2GVC
History
Create componentMay 4, 2006
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.341CN1C=CNC1=S
OpenEye OEToolkits 1.5.0CN1C=CNC1=S

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InChI

InChI 1.03InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

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InChIKey

InChI 1.03PMRYVIKBURPHAH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-methyl-1,3-dihydro-2H-imidazole-2-thione
OpenEye OEToolkits 1.5.01-methyl-3H-imidazole-2-thione

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PDB entries

Showing all 3 items

PDB-2gvc:
Crystal structure of flavin-containing monooxygenase (FMO)from S.pombe and substrate (methimazole) complex

PDB-5ff1:
Two way mode of binding of antithyroid drug methimazole to mammalian heme peroxidases: Structure of the complex of lactoperoxidase with methimazole at 1.97 Angstrom resolution

PDB-5gsn:
Tmm in complex with methimazole

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