Marvin  07101314292D          

 11 11  0  0  0  0            999 V2000
    7.4821  -14.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1966  -14.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1966  -13.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9110  -14.8553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1966  -16.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9110  -15.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6255  -16.0929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4821  -15.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7677  -16.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533  -15.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388  -16.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  1  8  2  0  0  0  0
  8  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  2  3  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:8502

> <NAME>
6-propyl-2-thiouracil

> <DEFINITION>
A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.

> <STAR>
3

> <SYNONYM>
Propylthiouracil; 6-Thio-4-propyluracil; 6-Propylthiouracil; 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one; 6-propyl-2-thiouracil; 6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione; 4-propyl-2-thiouracil; 4-Propyl-2-thiouracil; 2-Thio-6-propyl-1,3-pyrimidin-4-one; 2-Thio-4-oxo-6-propyl-1,3-pyrimidine; 2-Mercapto-6-propylpyrimid-4-one; 2-Mercapto-6-propyl-4-pyrimidone; 2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone

> <IUPAC_NAME>
6-propyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

> <INN>
propylthiouracilum; propylthiouracile; propylthiouracil; propiltiouracilo

> <FORMULA>
C7H10N2OS

> <MASS>
170.23200

> <MONOISOTOPIC_MASS>
170.05138

> <CHARGE>
0

> <SMILES>
CCCc1cc(=O)[nH]c(=S)[nH]1

> <INCHI>
InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

> <INCHIKEY>
KNAHARQHSZJURB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
130039

> <CAS_REGISTRY_NUMBER>
51-52-5

> <GMELIN_REGISTRY_NUMBER>
1998546

> <REAXYS_REGISTRY_NUMBER>
130039

> <CHEMIDPLUS>
51-52-5

> <DRUGBANK_ACCESSION>
DB00550

> <KEGG_COMPOUND_ACCESSION>
C07569

> <KEGG_DRUG_ACCESSION>
D00562

> <LINCS_ACCESSION>
LSM-5592

> <NIST_CHEMISTRY_WEBBOOK>
51-52-5

> <WIKIPEDIA_ACCESSION>
Propylthiouracil

> <PUBMED_CITATION>
11005705; 11036881; 11350963; 11401533; 12135875; 12922945; 14692727; 14745920; 16380675; 16498810; 16880639; 17365943; 17497002; 17878268; 18055877; 18710353; 19530273; 19578601; 20166204; 21749382; 6387489

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