60291667
  -OEChem-05092411502D

 49 52  0     1  0  0  0  0  0999 V2000
    9.8622   -1.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9050    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9962    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.5491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    1.9315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.0844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  6 17  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  2  0  0  0  0
  8 19  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  2  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60291667

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgIQAAAADB7hniYz9vdIFACgAyZiZACCiCkhJ6AJmCA+7piPLqLF+9uHNCpuwBva6Cew0LMOIEABAgADQABAgAIEAAaAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(2-chlorophenyl)-4-morpholinyl]-6,7-dimethoxy-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-quinazolin-4-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21ClN4O3/c1-26-16-9-13-15(10-17(16)27-2)23-20(24-19(13)22)25-7-8-28-18(11-25)12-5-3-4-6-14(12)21/h3-6,9-10,18H,7-8,11H2,1-2H3,(H2,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
BFJFDEVXYWANEL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
400.1302182

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21ClN4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
400.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOC(C3)C4=CC=CC=C4Cl)N)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOC(C3)C4=CC=CC=C4Cl)N)OC

> <PUBCHEM_CACTVS_TPSA>
82.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
400.1302182

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
13  15  8
13  16  8
15  20  8
16  21  8
17  18  8
17  22  8
18  19  8
18  23  8
20  24  8
21  24  8
22  25  8
23  26  8
25  26  8
6  14  8
6  17  8
7  14  8
7  19  8
9  13  3

$$$$