5312145
  -OEChem-04252416472D

 37 38  0     0  0  0  0  0  0999 V2000
    6.0010   -0.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010   -1.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -0.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5072   -1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872   -0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  2  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  2  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  7 28  1  0  0  0  0
  8 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8 29  1  0  0  0  0
  9 17  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  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
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5312145

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
418

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsABAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAQQQAAACAiBUgQz8ZbIEAKgACZiZHDCgDkhAqAJmLg4ZJiIKCLA2dGEJAhokAJIyCcQAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-<I>N</I>-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
JELFWSXQTXRMAJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.7

> <PUBCHEM_EXACT_MASS>
308.10554495

> <PUBCHEM_MOLECULAR_FORMULA>
C12H16N6O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
308.36

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
308.10554495

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  12  8
10  13  8
11  14  8
12  15  8
13  16  8
14  18  8
15  17  8
16  17  8
5  11  8
5  19  8
6  18  8
6  19  8

$$$$