2435
  -OEChem-06282408372D

 27 29  0     0  0  0  0  0  0999 V2000
    6.1808   -1.5173    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.9772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407   -0.5520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    1.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.6835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    1.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    1.4373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -1.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 12  2  0  0  0  0
  5 16  1  0  0  0  0
  6 14  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2435

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
308

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAEAAAAAAAAAAAAAAAAQAAAAA8QAAAAAAAAACx8AAAHABQAAABqAjBFgQ9wLLIEACgATRnZACCgCUxEiQJ2KA4dLiIYOLA2NGUJAhokALIyjcQAAAAAACAAAUAACgAAQAACgAAUAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-bromo-<I>N</I>-(4,5-dihydro-1<I>H</I>-imidazol-2-yl)quinoxalin-6-amine

> <PUBCHEM_IUPAC_NAME>
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-bromoquinoxalin-6-yl)-(2-imidazolin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
XYLJNLCSTIOKRM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
291.01196

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10BrN5

> <PUBCHEM_MOLECULAR_WEIGHT>
292.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br

> <PUBCHEM_CACTVS_TPSA>
62.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.01196

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  13  8
11  12  8
12  14  8
13  15  8
14  15  8
16  17  8
5  12  8
5  16  8
6  14  8
6  17  8

$$$$
