5281007
  -OEChem-04262401512D

 23 23  0     0  0  0  0  0  0999 V2000
    5.3314    1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.9217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.2307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.5616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -1.8217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -1.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231   -1.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.0057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.0516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.1853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -0.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -2.3233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    0.9072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  2  3  0  0  0
  5  8  1  0  0  0  0
  5 13  2  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281007

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
302

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJCAAAoAQMxNAAAAAEAAAAAIAEoAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <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/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)

> <PUBCHEM_IUPAC_INCHIKEY>
OMJKFYKNWZZKTK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
182.09160896

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
182.18

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

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

> <PUBCHEM_CACTVS_TPSA>
95.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.09160896

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
4  8  1

$$$$