6763007
  -OEChem-04192418562D

 25 25  0     1  0  0  0  0  0999 V2000
    6.2824    1.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.7416    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6453   -1.0507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.3815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485   -1.6416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0145    1.3972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1485   -0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1485    0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6485   -1.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742   -1.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   -2.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0927    0.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574    0.8429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    0.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.9102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0129   -2.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0145    2.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5514    1.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  2  3  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6763007

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
318

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJiAAAoAQMxNAAAAAEAAAAAIIEgAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[[methyl(methylamino)amino]hydrazono]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[methyl(methylamino)amino]hydrazinylidene]-4-imidazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[[methyl(methylamino)amino]hydrazono]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11N7O/c1-8-13(2)12-11-6-4(5(7)14)9-3-10-6/h3,8,12H,1-2H3,(H2,7,14)

> <PUBCHEM_IUPAC_INCHIKEY>
CHJMXCWMQDCOMH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
197.10250800

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11N7O

> <PUBCHEM_MOLECULAR_WEIGHT>
197.20

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

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

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.10250800

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  9  1

$$$$