60292393
  -OEChem-05062404352D

 52 55  0     1  0  0  0  0  0999 V2000
    9.8622    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.4050    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9962    1.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9962   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1913   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    1.4268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    1.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.5844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.6606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 25  1  0  0  0  0
  2 27  1  0  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  5 17  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  2  0  0  0  0
  7 19  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 16 21  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60292393

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
504

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAQAAAADBzhngYz9vdIFACgAyZiZACCiCkhIqAJmCA+7JiPLqLE+duHNCpuwBva6Cew0LMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-2-(2-methyl-6-phenyl-morpholin-4-yl)quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-2-(2-methyl-6-phenyl-4-morpholinyl)-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-2-(2-methyl-6-phenylmorpholin-4-yl)quinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-2-(2-methyl-6-phenylmorpholin-4-yl)quinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-2-(2-methyl-6-phenyl-morpholin-4-yl)quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[6,7-dimethoxy-2-(2-methyl-6-phenyl-morpholino)quinazolin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H24N4O3/c1-13-11-25(12-19(28-13)14-7-5-4-6-8-14)21-23-16-10-18(27-3)17(26-2)9-15(16)20(22)24-21/h4-10,13,19H,11-12H2,1-3H3,(H2,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
OPWPNRODYRRDAX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
380.18484064

> <PUBCHEM_MOLECULAR_FORMULA>
C21H24N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
380.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CN(CC(O1)C2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CN(CC(O1)C2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

> <PUBCHEM_CACTVS_TPSA>
82.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
380.18484064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
12  15  8
12  16  8
15  20  8
16  21  8
17  18  8
17  23  8
18  19  8
18  24  8
20  22  8
21  22  8
23  25  8
24  26  8
25  26  8
5  14  8
5  17  8
6  14  8
6  19  8
8  12  3
9  13  3

$$$$