Ketcher 12121609362D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   12.0725   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2065   -3.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9387   -3.4551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0725   -1.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2065   -4.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3406   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9387   -4.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0725   -4.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8045   -4.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9387   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  5  8  1  0     0  0
  7  9  2  0     0  0
  7  8  1  0     0  0
  4 10  1  0     0  0
M  END
> <ID>
CHEBI:134100

> <NAME>
O(4)-methylthymine

> <DEFINITION>
A methylthymine in which the methyl group is located at the O4-position.

> <STAR>
3

> <SYNONYM>
O-4-Methylthymine; 4-methoxy-5-methylpyrimidin-2-one

> <IUPAC_NAME>
4-methoxy-5-methylpyrimidin-2(1H)-one

> <FORMULA>
C6H8N2O2

> <MASS>
140.140

> <MONOISOTOPIC_MASS>
140.05858

> <CHARGE>
0

> <SMILES>
C=1(C(=CNC(N1)=O)C)OC

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

> <INCHIKEY>
NWUTZAVMDAGNIG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
25902-89-0

> <REAXYS_REGISTRY_NUMBER>
123950

> <CHEMIDPLUS>
25902-89-0

> <PUBMED_CITATION>
10508414; 10874019; 11453737; 18413724; 20026607; 23564326

$$$$