aminometradine
  CDK     0223171732
null
 14 14  0  0  0  0  0  0  0  0999 V2000
    1.0734   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3585   -1.9747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3564   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3585   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3564   -0.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713   -1.9747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0734   -3.2140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3564   -3.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -3.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  3  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
M  END
> <ID>
CHEBI:134853

> <NAME>
aminometradine

> <STAR>
2

> <SYNONYM>
mincard; mictine; mictin; metravigor; katapyrin; catapyrin; aminometramide; allacyl; allacil

> <FORMULA>
C9H13N3O2

> <MASS>
195.219

> <MONOISOTOPIC_MASS>
195.10078

> <CHARGE>
0

> <SMILES>
C(C=C)N1C(=O)N(CC)C(C=C1N)=O

> <INCHI>
InChI=1S/C9H13N3O2/c1-3-5-12-7(10)6-8(13)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3

> <INCHIKEY>
NGXUUAFYUCOICP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
642-44-4

$$$$