51051587
  -OEChem-04192416202D

 62 66  0     0  0  0  0  0  0999 V2000
    6.3981   -3.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960   -7.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    6.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.2874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6073   -7.1844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0011   -6.3796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -5.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -6.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -5.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    4.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    5.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    7.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -4.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540   -4.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101   -1.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087   -1.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -6.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -4.4026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535    4.1798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422    4.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    2.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5196    5.6798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162    7.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    7.9074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    7.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 16  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 33  2  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 57  1  0  0  0  0
  9 28  2  0  0  0  0
 10 32  2  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 17  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  2  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 17 22  2  0  0  0  0
 17 26  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 28  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 29  1  0  0  0  0
 24 47  1  0  0  0  0
 25 30  2  0  0  0  0
 25 48  1  0  0  0  0
 26 31  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 27 33  1  0  0  0  0
 28 32  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 34 35  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 35 36  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
 36 58  1  0  0  0  0
 36 59  1  0  0  0  0
 37 60  1  0  0  0  0
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51051587

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
819

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix9AAAHgAUAAAADAjhngYzwLPQBACpAyVyUgCCAAQlEgAomKE4dNqIYLrA1ZGEIYhql6LIyecYiACOSAAAQAACACCQAACAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-2,4-dioxo-quinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-2,4-dioxo-3-quinazolinyl]methyl]-N-(3-methoxypropyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-2,4-dioxoquinazolin-3-yl]methyl]-<I>N</I>-(3-methoxypropyl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-2,4-bis(oxidanylidene)quinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[[1-(benzofurazan-5-ylmethyl)-2,4-diketo-quinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H25N5O5/c1-36-14-4-13-28-25(33)20-10-7-18(8-11-20)16-32-26(34)21-5-2-3-6-24(21)31(27(32)35)17-19-9-12-22-23(15-19)30-37-29-22/h2-3,5-12,15H,4,13-14,16-17H2,1H3,(H,28,33)

> <PUBCHEM_IUPAC_INCHIKEY>
HIWIFZUFFLJGEU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
499.18556891

> <PUBCHEM_MOLECULAR_FORMULA>
C27H25N5O5

> <PUBCHEM_MOLECULAR_WEIGHT>
499.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC5=NON=C5C=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC5=NON=C5C=C4

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
499.18556891

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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  32  8
11  13  8
11  19  8
13  16  8
13  20  8
17  22  8
17  26  8
18  24  8
18  25  8
19  21  8
20  23  8
21  23  8
22  28  8
24  29  8
25  30  8
26  31  8
27  29  8
27  30  8
28  32  8
3  10  8
3  9  8
31  32  8
6  11  8
6  14  8
7  14  8
7  16  8
9  28  8

$$$$