17 17  0  0  0  0  0  0  0  0999 V2000
   18.9711  -10.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9101  -10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1275  -10.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9101   -8.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7044  -10.8320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3329  -10.1331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1275  -12.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7044   -8.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1275   -8.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4874  -10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5499  -10.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4874   -8.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2702  -10.8320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.7615  -10.1331    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   16.5499  -12.2296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2702   -8.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7602   -8.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  2  5  2  0     0  0
  3  6  1  0     0  0
  3  7  2  0     0  0
  4  8  2  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  8 12  1  0     0  0
 10 13  1  0     0  0
 11 14  1  0     0  0
 11 15  2  0     0  0
 12 16  1  0     0  0
 10 12  2  0     0  0
 14  1  1  0     0  0
 14 17  1  0     0  0
M  END
> <ID>
CHEBI:34467

> <NAME>
6-chloro-3,5-diaminopyrazine-3-carboxamide

> <STAR>
2

> <SYNONYM>
CDPC; 6-Chloro-3,5-diaminopyrazine-3-carboxamide

> <FORMULA>
C8H12ClN7O

> <MASS>
257.680

> <MONOISOTOPIC_MASS>
257.07919

> <CHARGE>
0

> <SMILES>
CN(C)C(=N)NC(=O)c1nc(Cl)c(N)nc1N

> <INCHI>
InChI=1S/C8H12ClN7O/c1-16(2)8(12)15-7(17)3-5(10)14-6(11)4(9)13-3/h1-2H3,(H4,10,11,14)(H2,12,15,17)

> <INCHIKEY>
AZRZBCASYOBNKQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1144-27-0

> <KEGG_COMPOUND_ACCESSION>
C13753

$$$$