3752
  -OEChem-05042404232D

 23 24  0     0  0  0  0  0  0999 V2000
    5.4641    2.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  2  0  0  0  0
  3 15  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  2  0  0  0  0
  5 15  2  0  0  0  0
  5 16  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 16  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
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3752

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
232

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzgAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAIQAAAADAKBGyAxEIZIEACgAiJiJACCgAkgBaAJiCAgBpiIKKKBmxGEIAhogAIIiAcQgAAOAAAQIAABAAAAACBAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_NAME>
6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[2,5-bis(chloranyl)phenyl]-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-amino-6-(2,5-dichlorophenyl)-s-triazin-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
ATCGGEJZONJOCL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2

> <PUBCHEM_EXACT_MASS>
255.0078506

> <PUBCHEM_MOLECULAR_FORMULA>
C9H7Cl2N5

> <PUBCHEM_MOLECULAR_WEIGHT>
256.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl

> <PUBCHEM_CACTVS_TPSA>
90.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.0078506

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  12  8
12  14  8
13  14  8
3  15  8
3  9  8
4  16  8
4  9  8
5  15  8
5  16  8
8  10  8
8  11  8

$$$$