6325610
  -OEChem-04262418312D

 34 38  0     0  0  0  0  0  0999 V2000
    2.0158    0.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2882   -0.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3040   -2.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561    2.1486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479   -2.1486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6681    2.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -2.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1360    1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680   -1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700    2.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5340   -2.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760    1.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4280   -1.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4361   -2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7739    3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    1.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502   -1.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9421    2.6988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3619   -2.6988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3939    3.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7763    4.1892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    3.5716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -3.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -4.1892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501   -3.5716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 20  2  0  0  0  0
  3 21  2  0  0  0  0
  4 22  2  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 21  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 24 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6325610

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
984

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAAQIAAAAgQIAAAAAAAECAAAAAHgAQAAAADAzBgAQCAALAAACIAoRWQACAAAAgAAAACIEIAEgIABIAgAAEAAAAgAAIgUMYiYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone

> <PUBCHEM_IUPAC_CAS_NAME>
6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1<SUP>2,5</SUP>.0<SUP>13,17</SUP>.0<SUP>9,18</SUP>]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone

> <PUBCHEM_IUPAC_NAME>
6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-diquinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
XUMBMVFBXHLACL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.2

> <PUBCHEM_EXACT_MASS>
318.06405680

> <PUBCHEM_MOLECULAR_FORMULA>
C18H10N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
318.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O

> <PUBCHEM_CACTVS_TPSA>
92.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.06405680

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  11  8
10  16  8
11  19  8
12  20  8
13  17  8
14  18  8
17  21  8
18  22  8
19  21  8
20  22  8
5  13  8
5  15  8
6  14  8
6  16  8
7  11  8
7  13  8
7  9  8
8  10  8
8  12  8
8  14  8
9  12  8
9  15  8

$$$$