null
  CDK     0224162332
null
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.5356    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    5.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    4.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    2.2581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    3.0428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    6.4152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.8277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646    7.2402    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  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 
 11 12  1  0  0  0  0 
 12  7  1  0  0  0  0 
 12 13  2  0  0  0  0 
 10 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 15  1  0  0  0  0 
  9 20  1  0  0  0  0 
 20 21  3  0  0  0  0 
  8 22  1  0  0  0  0 
  3 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:109225

> <NAME>
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile

> <STAR>
2

> <FORMULA>
C14H10ClN7O

> <MASS>
327.729

> <MONOISOTOPIC_MASS>
327.06354

> <CHARGE>
0

> <SMILES>
C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl

> <INCHI>
InChI=1S/C14H10ClN7O/c15-9-1-3-10(4-2-9)22-13(17)11(5-16)12(20-14(22)23)6-21-8-18-7-19-21/h1-4,7-8H,6,17H2

> <INCHIKEY>
WFNNTEWBUJMZOD-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-20622

$$$$