Marvin  07161314032D          

  9  9  0  0  0  0            999 V2000
   23.0935   -3.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0935   -4.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8062   -4.9795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5147   -4.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5147   -3.7439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8062   -3.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2292   -4.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8062   -2.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8062   -5.8045    0.0000 C   0  0  0  0  0  0  0  0  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  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  2  2  0  0  0  0
  6  8  2  0  0  0  0
  1  6  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <ID>
CHEBI:69445

> <NAME>
1-methyluracil

> <DEFINITION>
A pyrimidone that is uracil with a methyl group substituent at position 1.

> <STAR>
3

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

> <FORMULA>
C5H6N2O2

> <MASS>
126.11330

> <MONOISOTOPIC_MASS>
126.04293

> <CHARGE>
0

> <SMILES>
Cn1ccc(=O)[nH]c1=O

> <INCHI>
InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)

> <INCHIKEY>
XBCXJKGHPABGSD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
615-77-0

> <REAXYS_REGISTRY_NUMBER>
116505

> <CHEMIDPLUS>
615-77-0

> <PUBMED_CITATION>
1210140; 12903356; 19058265; 2619960

$$$$