Ketcher 01041713022D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
    6.4443   -7.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1765   -4.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3104   -5.6663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1763   -7.1662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103   -6.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1763   -5.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0423   -6.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0423   -5.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9085   -5.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4444   -5.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0     0  0
  2  6  2  0     0  0
  3  5  1  0     0  0
  3  6  1  0     0  0
  4  5  1  0     0  0
  4  7  1  0     0  0
  6  8  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  3 10  1  0     0  0
M  END
> <ID>
CHEBI:74766

> <NAME>
3,5-dimethyluracil

> <DEFINITION>
A pyrimidone that is uracil with methyl group substituents at positions 3 and 5.

> <STAR>
3

> <SYNONYM>
3-Methylthymine

> <IUPAC_NAME>
3,5-dimethylpyrimidine-2,4(1H,3H)-dione

> <FORMULA>
C6H8N2O2

> <MASS>
140.140

> <MONOISOTOPIC_MASS>
140.05858

> <CHARGE>
0

> <SMILES>
O=C1N(C(=O)C(=CN1)C)C

> <INCHI>
InChI=1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3H,1-2H3,(H,7,10)

> <INCHIKEY>
IIDONYMEGWHGRU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4160-77-4

> <REAXYS_REGISTRY_NUMBER>
124130

> <CHEMIDPLUS>
4160-77-4

> <PUBMED_CITATION>
15381779; 5008934; 5949487

$$$$