69790953
  -OEChem-04262420182D

 46 49  0     0  0  0  0  0  0999 V2000
    2.8680   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6221   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6221    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5282   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5282    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6150   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6150    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0639   -0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0639    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 26  1  0  0  0  0
  2 18  1  0  0  0  0
  2 27  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 20  1  0  0  0  0
 13 17  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  2  0  0  0  0
 15 23  2  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 19 30  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  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
M  END
> <PUBCHEM_COMPOUND_CID>
69790953

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
495

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgAAAAAADAyBngYz1vcIFACgAyRiZACCiCkhIqAJmCA+bJiMLqLE+duENChuwBtI6CewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methoxy-N-(4-methoxyquinazolin-2-yl)-N,4-dimethyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6-methoxy-N-(4-methoxy-2-quinazolinyl)-N,4-dimethyl-2-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methoxy-<I>N</I>-(4-methoxyquinazolin-2-yl)-<I>N</I>,4-dimethylquinazolin-2-amine

> <PUBCHEM_IUPAC_NAME>
6-methoxy-N-(4-methoxyquinazolin-2-yl)-N,4-dimethylquinazolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-N-(4-methoxyquinazolin-2-yl)-N,4-dimethyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-methoxy-4-methyl-quinazolin-2-yl)-(4-methoxyquinazolin-2-yl)-methyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19N5O2/c1-12-15-11-13(26-3)9-10-17(15)23-19(21-12)25(2)20-22-16-8-6-5-7-14(16)18(24-20)27-4/h5-11H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
HEAWXUQONNAFHJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
361.15387487

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
361.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C=C(C=CC2=NC(=N1)N(C)C3=NC4=CC=CC=C4C(=N3)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C=C(C=CC2=NC(=N1)N(C)C3=NC4=CC=CC=C4C(=N3)OC)OC

> <PUBCHEM_CACTVS_TPSA>
73.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
361.15387487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
13  17  8
14  15  8
14  18  8
14  22  8
15  23  8
16  19  8
17  19  8
22  24  8
23  25  8
24  25  8
4  11  8
4  9  8
5  10  8
5  11  8
6  12  8
6  15  8
7  12  8
7  18  8
8  10  8
8  13  8
8  9  8
9  16  8

$$$$