71495905
  -OEChem-05082413552D

 54 57  0     0  0  0  0  0  0999 V2000
    6.3406   -0.2550    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.4804    0.2550    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    9.8211   -1.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8211   -3.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291   -3.3242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.3242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230   -1.7688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2230   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2230   -2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890   -1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291   -1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9551   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890   -3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9551   -2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230   -2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5589   -3.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    3.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6871   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8211   -4.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890   -0.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890   -3.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468   -2.7780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0232   -3.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710   -3.8495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742    2.7780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7979    3.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    3.8495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3771   -2.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2241   -2.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9971   -1.2526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2011   -4.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8211   -4.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4411   -4.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    4.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 29  1  0  0  0  0
  4 20  1  0  0  0  0
  4 30  1  0  0  0  0
  5 23  1  0  0  0  0
  5 31  1  0  0  0  0
  6 24  1  0  0  0  0
  6 32  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  2  0  0  0  0
  8 14  1  0  0  0  0
  8 26  2  0  0  0  0
  9 17  2  0  0  0  0
  9 25  1  0  0  0  0
 10 18  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 21  2  0  0  0  0
 14 22  2  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 37  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71495905

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
558

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAIAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgCAAAAADAyBnwIz1vYIFACgAyZiZACCiCkhIqABmCA27JiNLqLE+NuENCpuwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(6,7-dimethoxy-2-methyl-quinazolin-4-yl)diselanyl]-6,7-dimethoxy-2-methyl-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(6,7-dimethoxy-2-methyl-4-quinazolinyl)diselanyl]-6,7-dimethoxy-2-methylquinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(6,7-dimethoxy-2-methylquinazolin-4-yl)diselanyl]-6,7-dimethoxy-2-methylquinazoline

> <PUBCHEM_IUPAC_NAME>
4-[(6,7-dimethoxy-2-methylquinazolin-4-yl)diselanyl]-6,7-dimethoxy-2-methylquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(6,7-dimethoxy-2-methyl-quinazolin-4-yl)diselanyl]-6,7-dimethoxy-2-methyl-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(6,7-dimethoxy-2-methyl-quinazolin-4-yl)diselanyl]-6,7-dimethoxy-2-methyl-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H22N4O4Se2/c1-11-23-15-9-19(29-5)17(27-3)7-13(15)21(25-11)31-32-22-14-8-18(28-4)20(30-6)10-16(14)24-12(2)26-22/h7-10H,1-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZVNTUGOXKZDCMZ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
565.99715

> <PUBCHEM_MOLECULAR_FORMULA>
C22H22N4O4Se2

> <PUBCHEM_MOLECULAR_WEIGHT>
564.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC(=C(C=C2C(=N1)[Se][Se]C3=NC(=NC4=CC(=C(C=C43)OC)OC)C)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC(=C(C=C2C(=N1)[Se][Se]C3=NC(=NC4=CC(=C(C=C43)OC)OC)C)OC)OC

> <PUBCHEM_CACTVS_TPSA>
88.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
565.99715

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  18  8
10  26  8
11  13  8
11  15  8
11  17  8
12  14  8
12  16  8
12  18  8
13  21  8
14  22  8
15  19  8
16  20  8
19  23  8
20  24  8
21  23  8
22  24  8
7  13  8
7  25  8
8  14  8
8  26  8
9  17  8
9  25  8

$$$$