Ketcher 09292212352D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
    1.5585   -3.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245   -4.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245   -5.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585   -5.6016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6925   -5.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6925   -4.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -5.6016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396   -5.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396   -4.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -3.6016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585   -2.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -5.6016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  6  1  0     0  0
  1 11  2  0     0  0
  3 12  1  0     0  0
M  END
> <ID>
CHEBI:193164

> <NAME>
PH4

> <STAR>
2

> <FORMULA>
C6H7N5O

> <MASS>
165.156

> <MONOISOTOPIC_MASS>
165.06506

> <CHARGE>
0

> <SMILES>
C1(NC(=NC2=C1N=CCN2)N)=O

> <INCHI>
InChI=1S/C6H7N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1H,2H2,(H4,7,9,10,11,12)

> <INCHIKEY>
PXZWKVIXSKSCFR-UHFFFAOYSA-N

$$$$