27460
  CDK     1019221600

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0790   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  5  2  0  0  0  0 
  2  6  2  0  0  0  0 
  2  7  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:193641

> <NAME>
5-Ethyl-2,3-dimethylpyrazine

> <STAR>
2

> <IUPAC_NAME>
5-ethyl-2,3-dimethylpyrazine

> <FORMULA>
C8H12N2

> <MASS>
136.198

> <MONOISOTOPIC_MASS>
136.10005

> <CHARGE>
0

> <SMILES>
N=1C(CC)=CN=C(C1C)C

> <INCHI>
InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3

> <INCHIKEY>
CIBKSMZEVHTQLG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
15707-34-3

> <CHEMIDPLUS>
15707-34-3

$$$$