5469190
  -OEChem-04242421272D

 25 25  0     1  0  0  0  0  0999 V2000
    5.9210    1.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -0.9316    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2839   -1.2407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270   -0.5715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    1.2072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961   -0.8806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871   -1.8316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.6008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -0.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871   -1.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128   -1.8471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900    0.8972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7313    0.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    0.6529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5184   -0.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6515   -2.3332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2731    2.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    2.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0331    2.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186   -2.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5469190

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
318

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAALCAAAoAQMxNAAAAAEAAAAAIIEoAAAAAAgAQAAEAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>)-5-[[amino(methyl)amino]hydrazinylidene]-<I>N</I>-methylimidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
(5Z)-5-[[amino(methyl)amino]hydrazinylidene]-N-methylimidazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-5-[[azanyl(methyl)amino]hydrazinylidene]-N-methyl-imidazole-4-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11N7O/c1-8-6(14)4-5(10-3-9-4)11-12-13(2)7/h3,12H,7H2,1-2H3,(H,8,14)/b11-5-

> <PUBCHEM_IUPAC_INCHIKEY>
BYIGNVOKEHUFTL-WZUFQYTHSA-N

> <PUBCHEM_XLOGP3_AA>
-0.6

> <PUBCHEM_EXACT_MASS>
197.10250800

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11N7O

> <PUBCHEM_MOLECULAR_WEIGHT>
197.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1=NC=NC1=NNN(C)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C\1=NC=N/C1=N\NN(C)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>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$