54708944
  -OEChem-04252410392D

 44 47  0     0  0  0  0  0  0999 V2000
    4.5981   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 11  1  0  0  0  0
  2 43  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 14 30  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 24  2  0  0  0  0
 18 33  1  0  0  0  0
 19 24  1  0  0  0  0
 19 34  1  0  0  0  0
 20 25  2  0  0  0  0
 20 35  1  0  0  0  0
 21 25  1  0  0  0  0
 21 36  1  0  0  0  0
 22 26  1  0  0  0  0
 22 37  1  0  0  0  0
 23 27  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 28  2  0  0  0  0
 26 41  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54708944

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
663

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAHgAACAAADAyBmAAxwIMAAgCoAidydACCAAEhIgAJiAEgbNgIJqrI2ZGEcAhkxAHI2QeQwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5E)-5-[hydroxy(phenyl)methylene]-1,2-diphenyl-pyrimidine-4,6-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(5E)-5-[hydroxy(phenyl)methylidene]-1,2-diphenylpyrimidine-4,6-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>E</I>)-5-[hydroxy(phenyl)methylidene]-1,2-diphenylpyrimidine-4,6-dione

> <PUBCHEM_IUPAC_NAME>
(5E)-5-[hydroxy(phenyl)methylidene]-1,2-diphenylpyrimidine-4,6-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5E)-5-[oxidanyl(phenyl)methylidene]-1,2-diphenyl-pyrimidine-4,6-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5E)-5-[hydroxy(phenyl)methylene]-1,2-diphenyl-pyrimidine-4,6-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H16N2O3/c26-20(16-10-4-1-5-11-16)19-22(27)24-21(17-12-6-2-7-13-17)25(23(19)28)18-14-8-3-9-15-18/h1-15,26H/b20-19+

> <PUBCHEM_IUPAC_INCHIKEY>
FMIYIDKQEWNYCF-FMQUCBEESA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
368.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C23H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
368.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NC(=O)C(=C(C3=CC=CC=C3)O)C(=O)N2C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NC(=O)/C(=C(/C3=CC=CC=C3)\O)/C(=O)N2C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
70

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.11609238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  17  8
13  18  8
14  19  8
15  22  8
15  23  8
16  20  8
17  21  8
18  24  8
19  24  8
20  25  8
21  25  8
22  26  8
23  27  8
26  28  8
27  28  8
7  13  8
7  14  8

$$$$