67892095
  -OEChem-05112401192D

 51 55  0     0  0  0  0  0  0999 V2000
   14.2436   -0.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4346    1.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0679   -1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359   -1.0308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9320   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8381   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8381    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9320    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4346   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2436    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4128   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9128    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9128   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4128    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3963    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0703   -1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9739   -2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3725   -0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383   -1.6508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6649   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5294    1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -1.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    0.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5294   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6649    2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002   -0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    1.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 28  1  0  0  0  0
  2 18  1  0  0  0  0
  2 29  1  0  0  0  0
  3 22  2  0  0  0  0
  4 32  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 37  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  1  0  0  0  0
 20 39  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 23 28  2  0  0  0  0
 23 41  1  0  0  0  0
 24 29  2  0  0  0  0
 24 42  1  0  0  0  0
 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 30  1  0  0  0  0
 26 43  1  0  0  0  0
 27 31  2  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 32 33  1  0  0  0  0
 33 49  1  0  0  0  0
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67892095

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
698

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAASJAAAA8YIAAAAAAAACx/gAAHgAQAAAADAyhngIzxLLIFECoA6xy1ASCiCQnMiAImCG2fNiOZvrE9fuXPaju1BPY6efb2aOeCACAAAQAACAQAQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-acetylphenyl)-3-[2,3-bis(2-furyl)quinoxalin-6-yl]urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-acetylphenyl)-3-[2,3-bis(2-furanyl)-6-quinoxalinyl]urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-acetylphenyl)-3-[2,3-bis(furan-2-yl)quinoxalin-6-yl]urea

> <PUBCHEM_IUPAC_NAME>
1-(4-acetylphenyl)-3-[2,3-bis(furan-2-yl)quinoxalin-6-yl]urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-ethanoylphenyl)urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-acetylphenyl)-3-[2,3-bis(2-furyl)quinoxalin-6-yl]urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H18N4O4/c1-15(30)16-6-8-17(9-7-16)26-25(31)27-18-10-11-19-20(14-18)29-24(22-5-3-13-33-22)23(28-19)21-4-2-12-32-21/h2-14H,1H3,(H2,26,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
LGYPPKDAMBTJHH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
438.13280507

> <PUBCHEM_MOLECULAR_FORMULA>
C25H18N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
438.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
438.13280507

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
1  17  8
1  28  8
10  15  8
11  12  8
13  14  8
13  16  8
15  16  8
17  19  8
18  20  8
19  23  8
2  18  8
2  29  8
20  24  8
21  26  8
21  27  8
23  28  8
24  29  8
25  30  8
25  31  8
26  30  8
27  31  8
5  11  8
5  9  8
6  10  8
6  12  8
9  10  8
9  14  8

$$$$