6792062
  -OEChem-04262403052D

 27 26  0     0  0  0  0  0  0999 V2000
    6.4756   -1.7571    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    7.2846   -2.3449    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1666   -2.7082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -0.9481    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.5246   -1.4481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9947   -0.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7846    0.8120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677    0.8071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    1.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    1.9639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5246   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4756   -0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783   -1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6834   -0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857   -2.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3911    0.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698    1.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751    0.5519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    2.7768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    2.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    1.5634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078    2.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    3.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1849    3.1223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4 12  2  0  0  0  0
  4 17  1  0  0  0  0
  5 11  2  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  3  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 18  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  CHG  1   4   1
M  END
> <PUBCHEM_COMPOUND_CID>
6792062

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
329

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAGAAAEAAAAAAAAAAAAAQIAAAAAAAAAAAAQAAAAAAAAHgAYCAAACAgBgAQDAAJCAgAoAQMxNAAAAAEAAAAAIAEoAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[amino-[5-(dimethylaminohydrazono)imidazol-4-yl]methylene]oxonium;dichlorocopper

> <PUBCHEM_IUPAC_CAS_NAME>
[amino-[5-(dimethylaminohydrazinylidene)-4-imidazolyl]methylidene]oxonium;dichlorocopper

> <PUBCHEM_IUPAC_NAME_MARKUP>
[amino-[5-(dimethylaminohydrazinylidene)imidazol-4-yl]methylidene]oxidanium;dichlorocopper

> <PUBCHEM_IUPAC_NAME>
[amino-[5-(dimethylaminohydrazinylidene)imidazol-4-yl]methylidene]oxidanium;dichlorocopper

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[azanyl-[5-(dimethylaminohydrazinylidene)imidazol-4-yl]methylidene]oxidanium;bis(chloranyl)copper

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[amino-[5-(dimethylaminohydrazono)imidazol-4-yl]methylene]oxonium;dichlorocopper

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10N6O.2ClH.Cu/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;;;/h3,11H,1-2H3,(H2,7,13);2*1H;/q;;;+2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
KMSFWRWTRKCAAV-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
315.966737

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11Cl2CuN6O+

> <PUBCHEM_MOLECULAR_WEIGHT>
317.64

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)NN=C1C(=NC=N1)C(=[OH+])N.Cl[Cu]Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)NN=C1C(=NC=N1)C(=[OH+])N.Cl[Cu]Cl

> <PUBCHEM_CACTVS_TPSA>
79.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.966737

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  6
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
8  13  1

$$$$