17134
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    5.4641    0.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.5600    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  6  1  0  0  0  0
  1 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 20  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  2  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  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  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17134

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuABAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgQQQAAACAyB0gY395ZIFAKgACZjZHTCiDkxYqAJ2Dgt7JiPLCLE+dmFJCpqkApa6CcQAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
PJSFRIWCGOHTNF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.7

> <PUBCHEM_EXACT_MASS>
310.073576

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14N4O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
310.32896

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N

> <PUBCHEM_CACTVS_TPSA>
125

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
310.073576

> <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>
3

> <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
7  11  8
7  19  8
9  18  8
9  19  8

$$$$