86418
  -OEChem-06201301452D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0860    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6106    2.0860    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.1458    0.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.9224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    0.7989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    1.1079    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347   -1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128   -1.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8147   -1.5805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698   -2.1972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.3889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.3889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212   -2.3781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -2.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9908    1.2137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  2  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
86418

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
319

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAEAAAAAAAAAAAAAAAAAQAAAAAsAAAAAAAAAAABgAAAHAIcAAAADALBGiQ9gJNqUAChAjBnZQCCgCExByAN2CA4ZpiIYOLB25GUIAhggALIyAYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-[(6-chloro-3-pyridyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

> <PUBCHEM_IUPAC_NAME>
N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-[(6-chloro-3-pyridyl)methyl]-2-imidazolin-2-yl]nitramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

> <PUBCHEM_IUPAC_INCHIKEY>
YWTYJOPNNQFBPC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
255.052302

> <PUBCHEM_MOLECULAR_FORMULA>
C9H10ClN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
255.661

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
86.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.052302

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
13  15  8
14  16  8
16  17  8
8  15  8
8  17  8

$$$$