67086967
  -OEChem-04252400512D

 46 46  0     0  0  0  0  0  0999 V2000
    3.7921    3.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7921    9.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    1.4016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    7.5620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    1.0925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    7.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8981    1.7617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8981    7.9221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    0.5016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    6.6620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4672    1.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4672    7.6131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5242    3.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5242    9.7009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    1.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    7.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    0.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9960    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    6.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9960    8.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582    2.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582    8.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582    3.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582    9.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582    0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582    6.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    0.4861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    6.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0459    1.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    0.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    2.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671    2.9862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    2.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0459    7.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    6.4321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    8.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671    9.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    8.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5226    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5226    6.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5242    4.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    3.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5242   10.3209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    9.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 24  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  7 15  2  3  0  0  0
  8 16  2  3  0  0  0
  9 15  1  0  0  0  0
  9 25  2  0  0  0  0
 10 16  1  0  0  0  0
 10 26  2  0  0  0  0
 11 21  2  0  0  0  0
 11 25  1  0  0  0  0
 12 22  2  0  0  0  0
 12 26  1  0  0  0  0
 13 23  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 24  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67086967

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
302

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBz8AAAAAAAAAAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJCAAAoAQMxNAAAAAEAAAAAIAEoAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(dimethylaminohydrazono)imidazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(dimethylaminohydrazono)imidazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C6H10N6O/c2*1-12(2)11-10-6-4(5(7)13)8-3-9-6/h2*3,11H,1-2H3,(H2,7,13)

> <PUBCHEM_IUPAC_INCHIKEY>
PLJQZUMPNWOTMD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
364.18321793

> <PUBCHEM_MOLECULAR_FORMULA>
C12H20N12O2

> <PUBCHEM_MOLECULAR_WEIGHT>
364.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)NN=C1C(=NC=N1)C(=O)N.CN(C)NN=C1C(=NC=N1)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)NN=C1C(=NC=N1)C(=O)N.CN(C)NN=C1C(=NC=N1)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
191

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
364.18321793

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
2

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  15  1
8  16  1

$$$$