60565611
  -OEChem-05092401262D

 58 61  0     0  0  0  0  0  0999 V2000
   10.7494    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4814   -2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2231   -3.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -0.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6154   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494   -2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513   -1.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7475   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8833   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8833   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0833   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894   -2.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4814   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9894   -0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0833   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2192   -2.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872   -2.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6193   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3474   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4911   -3.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    2.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6270   -3.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    3.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -3.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8799    0.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829    0.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494   -3.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966    0.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5476   -0.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    1.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6658    0.4132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3546    0.3947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9534    1.0834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3489   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0374   -1.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8844   -1.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6574   -0.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117   -0.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -3.8012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170   -2.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740    2.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    2.1812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6294   -4.6166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233   -3.8120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    3.8120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    3.8012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    4.6166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  2  0  0  0  0
  3 20  2  0  0  0  0
  4 25  2  0  0  0  0
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  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 38  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 45  1  0  0  0  0
  8 19  1  0  0  0  0
  8 25  1  0  0  0  0
  8 49  1  0  0  0  0
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  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
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 14 24  1  0  0  0  0
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 14 37  1  0  0  0  0
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 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
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 21 22  1  0  0  0  0
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 34 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60565611

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
766

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACxUAAAHgAQAAAADAjBmAQzwIPAAACIAiVSUACCAAAlAgAIiIEIZMiIIDrA1ZGEIYholyLIyecciICOQAAAQAACAACAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-ethyl-2,4-dioxo-N-[2-(2-phenylethylcarbamoyl)phenyl]-1H-quinazoline-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-ethyl-2,4-dioxo-N-[2-[oxo-(2-phenylethylamino)methyl]phenyl]-1H-quinazoline-7-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-ethyl-2,4-dioxo-<I>N</I>-[2-(2-phenylethylcarbamoyl)phenyl]-1<I>H</I>-quinazoline-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-ethyl-2,4-dioxo-N-[2-(2-phenylethylcarbamoyl)phenyl]-1H-quinazoline-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-ethyl-2,4-bis(oxidanylidene)-N-[2-(2-phenylethylcarbamoyl)phenyl]-1H-quinazoline-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-ethyl-2,4-diketo-N-[2-(phenethylcarbamoyl)phenyl]-1H-quinazoline-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24N4O4/c1-2-30-25(33)20-13-12-18(16-22(20)29-26(30)34)23(31)28-21-11-7-6-10-19(21)24(32)27-15-14-17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,27,32)(H,28,31)(H,29,34)

> <PUBCHEM_IUPAC_INCHIKEY>
WXHDHUJWLRRWBJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
456.17975526

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
456.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)NC1=O

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.17975526

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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  13  8
12  13  8
12  17  8
16  17  8
21  22  8
21  26  8
22  27  8
23  28  8
23  29  8
26  30  8
27  31  8
28  32  8
29  33  8
30  31  8
32  34  8
33  34  8
5  11  8
5  15  8
6  10  8
6  15  8
9  10  8
9  11  8
9  16  8

$$$$