86426
 OpenBabel05082101102D

 49 51  0  0  0  0  0  0  0  0999 V2000
    7.1460   -3.7673    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0071   -1.5120    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6460   -4.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6460   -2.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9576   -1.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0565   -1.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714   -0.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462    4.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502   -2.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964   -4.0720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3177   -0.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142    1.6714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.8282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2800   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0121   -4.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842   -4.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0121   -5.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2927    1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    3.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783    5.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6226   -4.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2241   -3.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842   -1.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842   -4.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9244   -0.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3921   -5.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0121   -5.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321   -5.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812   -2.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812   -4.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5672    1.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    3.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615    3.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859    3.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385    2.5397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398    5.6813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    5.7287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1169    4.8532    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 17  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  7 25  2  0  0  0  0
  8 27  1  0  0  0  0
  8 30  1  0  0  0  0
  9 28  1  0  0  0  0
  9 31  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 20  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 25  1  0  0  0  0
 12 36  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 42  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  2  0  0  0  0
 15 26  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  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
 21 24  2  0  0  0  0
 21 35  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
86426

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
832

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uABgAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB+AAAHgQQQAAACADF0wa/tZ/MHAqoADJndHDK2D1xOrAJ2CQ+fJiMbeLE+dmUJChrgQ7o6CYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-urea

>  <PUBCHEM_IUPAC_CAS_NAME>
1-(4,6-dimethoxy-2-pyrimidinyl)-3-[(2-ethylsulfonyl-3-imidazo[1,2-a]pyridinyl)sulfonyl]urea

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea

>  <PUBCHEM_IUPAC_NAME>
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-urea

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-esylimidazo[1,2-a]pyridin-3-yl)sulfonyl-urea

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)

>  <PUBCHEM_IUPAC_INCHIKEY>
RBSXHDIPCIWOMG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.9

>  <PUBCHEM_EXACT_MASS>
470.067839

>  <PUBCHEM_MOLECULAR_FORMULA>
C16H18N6O7S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
470.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

>  <PUBCHEM_CACTVS_TPSA>
188

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
470.067839

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
31

>  <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  16  8
10  18  8
10  20  8
11  17  8
11  18  8
14  26  8
14  27  8
15  26  8
15  28  8
16  17  8
18  21  8
20  23  8
21  24  8
23  24  8
27  29  8
28  29  8

$$$$
