Marvin  04031313252D          

  7  7  0  0  0  0            999 V2000
    8.3864  -25.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7973  -24.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1273  -24.4040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5383  -25.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4623  -26.4506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4623  -27.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8032  -26.0799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  4  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <ID>
CHEBI:50673

> <NAME>
methimazole

> <DEFINITION>
A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44168; CHEBI:6828

> <SYNONYM>
USAF el-30; Methimazole; 1-Methylimidazole-2(3H)-thione; 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE

> <IUPAC_NAME>
1-methyl-1,3-dihydro-2H-imidazole-2-thione

> <INN>
tiamazol; thiamazolum; thiamazole; thiamazol

> <BRAND_NAME>
Thacapzol; Tapazole; Strumazol; Favistan; Danantizol

> <FORMULA>
C4H6N2S

> <MASS>
114.16900

> <MONOISOTOPIC_MASS>
114.02517

> <CHARGE>
0

> <SMILES>
Cn1cc[nH]c1=S

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

> <INCHIKEY>
PMRYVIKBURPHAH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
108646

> <CAS_REGISTRY_NUMBER>
60-56-0

> <REAXYS_REGISTRY_NUMBER>
108646

> <CHEMIDPLUS>
60-56-0

> <DRUGBANK_ACCESSION>
DB00763

> <KEGG_DRUG_ACCESSION>
D00401

> <LINCS_ACCESSION>
LSM-5646

> <METACYC_ACCESSION>
CPD-11282

> <NIST_CHEMISTRY_WEBBOOK>
60-56-0

> <PDBECHEM_ACCESSION>
MMZ

> <WIKIPEDIA_ACCESSION>
Methimazole

> <PUBMED_CITATION>
17438883; 24443787; 7454742; 9172960

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