C9H11N3O7P
APtclcactv03241713492D 0   0.00000     0.00000
 
 31 33  0  0  0  0  0  0  0  0999 V2000
    3.5335   -3.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425   -2.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7936   -1.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7936   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425   -0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    0.5019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2026    1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936    2.1961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9155    2.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2463    1.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554    0.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065    3.3551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1808    1.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547   -1.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7398   -0.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3234   -1.2582    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1324   -0.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1324   -1.8460    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7398   -2.0629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554   -3.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5551   -3.6379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1475   -3.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2302   -2.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7944   -2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7944   -0.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2302   -0.3522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399    1.7898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405    0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0213    3.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   -3.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  2  0  0  0  0
  5 14  1  0  0  0  0
  2 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  CHG  1  18  -1
M  END
> <UNIQUE_SMILES>
NC1=NC(=O)N(C=C1)C2OC(CO)C3O[P]([O-])(=O)OC23

> <USER_SUPPLIED_SMILES>
C(C2(C3(C(C(N1(C(N=C(C=C1)N)=O))O2)OP(=O)([O-])O3)))O

$$$$
