123925
  CDK     0821231158

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.9370    0.3341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  2  7  1  0  0  0  0 
  2  8  1  0  0  0  0 
  3  7  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:195569

> <NAME>
Methyl 4-mercaptobutyrimidate

> <STAR>
2

> <IUPAC_NAME>
methyl 4-sulanylbutanimidate

> <FORMULA>
C5H11NOS

> <MASS>
133.210

> <MONOISOTOPIC_MASS>
133.05614

> <CHARGE>
0

> <SMILES>
SCCCC(OC)=N

> <INCHI>
InChI=1S/C5H11NOS/c1-7-5(6)3-2-4-8/h6,8H,2-4H2,1H3

> <INCHIKEY>
DFTAZNAEBRBBKP-UHFFFAOYSA-N

$$$$