58060611
  -OEChem-05112422472D

 62 66  0     0  0  0  0  0  0999 V2000
    8.1340   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -1.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -1.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6106   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2120   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0559   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6574   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2120   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6106   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6574   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0559   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322    0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0781   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4766    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    0.0346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2690    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -2.4008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -1.5962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3291    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    1.2215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    1.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402    1.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3291    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7741    4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0010    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541    5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  4 15  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 19  1  0  0  0  0
  6 22  2  0  0  0  0
  7  9  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 10  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 43  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 48  1  0  0  0  0
 22 25  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 24 31  1  0  0  0  0
 25 28  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 32  1  0  0  0  0
 29 34  1  0  0  0  0
 30 33  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 33  2  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58060611

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
654

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACx9AAAHgAAAAAADAzhnwYz9vcIFACgAzZjZACCiCkhIqAJmCA+bJiObqLE+duXPCjswBPY6CewwFAOAEADAAACAAAAgAYAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[6-(3-methylphenoxy)-4-morpholino-quinazolin-2-yl]methyl]-1-(m-tolyl)methanimine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[6-(3-methylphenoxy)-4-(4-morpholinyl)-2-quinazolinyl]methyl]-1-(3-methylphenyl)methanimine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[6-(3-methylphenoxy)-4-morpholin-4-ylquinazolin-2-yl]methyl]-1-(3-methylphenyl)methanimine

> <PUBCHEM_IUPAC_NAME>
N-[[6-(3-methylphenoxy)-4-morpholin-4-ylquinazolin-2-yl]methyl]-1-(3-methylphenyl)methanimine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[6-(3-methylphenoxy)-4-morpholin-4-yl-quinazolin-2-yl]methyl]-1-(3-methylphenyl)methanimine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-methylbenzylidene)-[[6-(3-methylphenoxy)-4-morpholino-quinazolin-2-yl]methyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H28N4O2/c1-20-5-3-7-22(15-20)18-29-19-27-30-26-10-9-24(34-23-8-4-6-21(2)16-23)17-25(26)28(31-27)32-11-13-33-14-12-32/h3-10,15-18H,11-14,19H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZSBSNJCQDJYRKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
452.22122615

> <PUBCHEM_MOLECULAR_FORMULA>
C28H28N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
452.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC=C1)C=NCC2=NC3=C(C=C(C=C3)OC4=CC=CC(=C4)C)C(=N2)N5CCOCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC=C1)C=NCC2=NC3=C(C=C(C=C3)OC4=CC=CC(=C4)C)C(=N2)N5CCOCC5

> <PUBCHEM_CACTVS_TPSA>
59.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
452.22122615

> <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>
11  12  8
12  13  8
12  14  8
13  16  8
14  17  8
16  18  8
17  18  8
20  21  8
20  23  8
21  24  8
23  26  8
24  27  8
25  28  8
25  30  8
26  27  8
28  29  8
29  32  8
30  33  8
32  33  8
4  11  8
4  15  8
5  13  8
5  15  8

$$$$