67704242
  -OEChem-04182401032D

 46 47  0     0  0  0  0  0  0999 V2000
    8.9282    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  7 16  2  0  0  0  0
  8 25  1  0  0  0  0
  8 28  1  0  0  0  0
  9 26  1  0  0  0  0
  9 29  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  2  0  0  0  0
 13 21  1  0  0  0  0
 13 25  2  0  0  0  0
 14 21  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  3  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 24  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67704242

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
779

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzuABgAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHgQQQAAACADF0ga/lZbIFAKoADBndHDK2DkxIqAJ2Dg+bJiMLeLE+dmEJChrgQ7I6CYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(4,6-dimethoxypyrimidin-2-yl)-1-prop-1-enylsulfonyl-1-(2-pyridylsulfonyl)urea

> <PUBCHEM_IUPAC_CAS_NAME>
3-(4,6-dimethoxy-2-pyrimidinyl)-1-prop-1-enylsulfonyl-1-(2-pyridinylsulfonyl)urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(4,6-dimethoxypyrimidin-2-yl)-1-prop-1-enylsulfonyl-1-pyridin-2-ylsulfonylurea

> <PUBCHEM_IUPAC_NAME>
3-(4,6-dimethoxypyrimidin-2-yl)-1-prop-1-enylsulfonyl-1-pyridin-2-ylsulfonylurea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(4,6-dimethoxypyrimidin-2-yl)-1-prop-1-enylsulfonyl-1-pyridin-2-ylsulfonyl-urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(4,6-dimethoxypyrimidin-2-yl)-1-prop-1-enylsulfonyl-1-(2-pyridylsulfonyl)urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17N5O7S2/c1-4-9-28(22,23)20(29(24,25)13-7-5-6-8-16-13)15(21)19-14-17-11(26-2)10-12(18-14)27-3/h4-10H,1-3H3,(H,17,18,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
BPYVTRQKUSKVIJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
443.05694025

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17N5O7S2

> <PUBCHEM_MOLECULAR_WEIGHT>
443.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=CS(=O)(=O)N(C(=O)NC1=NC(=CC(=N1)OC)OC)S(=O)(=O)C2=CC=CC=N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC=CS(=O)(=O)N(C(=O)NC1=NC(=CC(=N1)OC)OC)S(=O)(=O)C2=CC=CC=N2

> <PUBCHEM_CACTVS_TPSA>
175

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
443.05694025

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  15  8
12  22  8
13  21  8
13  25  8
14  21  8
14  26  8
15  18  8
17  19  1
18  20  8
20  23  8
22  23  8
25  27  8
26  27  8

$$$$