69791279
  -OEChem-05052418102D

 46 49  0     0  0  0  0  0  0999 V2000
    2.8680   -2.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4882    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4882   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3942    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3942   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -0.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4810    2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4810   -1.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9300    1.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9300   -0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.9894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -2.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1722    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3252    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 26  1  0  0  0  0
  2 19  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 30  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  6 16  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 14 22  2  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 23  2  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  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>
69791279

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
481

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgAQAAAADAzBnwYz1vbIFACgAyZiZACCiCkhIqAJmKA+bJiMbqLE+duUNChuwBvI6CewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methoxy-N-[(4-methoxyquinazolin-2-yl)methyl]-4-methyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6-methoxy-N-[(4-methoxy-2-quinazolinyl)methyl]-4-methyl-2-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methoxy-<I>N</I>-[(4-methoxyquinazolin-2-yl)methyl]-4-methylquinazolin-2-amine

> <PUBCHEM_IUPAC_NAME>
6-methoxy-N-[(4-methoxyquinazolin-2-yl)methyl]-4-methylquinazolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-N-[(4-methoxyquinazolin-2-yl)methyl]-4-methyl-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/c1-12-15-10-13(26-2)8-9-17(15)24-20(22-12)21-11-18-23-16-7-5-4-6-14(16)19(25-18)27-3/h4-10H,11H2,1-3H3,(H,21,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
LGQLIKFNLQSQNN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <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)NCC3=NC4=CC=CC=C4C(=N3)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C=C(C=CC2=NC(=N1)NCC3=NC4=CC=CC=C4C(=N3)OC)OC

> <PUBCHEM_CACTVS_TPSA>
82

> <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>
14  16  8
14  19  8
14  22  8
15  18  8
16  23  8
17  20  8
18  20  8
22  24  8
23  25  8
24  25  8
4  12  8
4  9  8
5  10  8
5  12  8
6  13  8
6  16  8
7  13  8
7  19  8
8  10  8
8  15  8
8  9  8
9  17  8

$$$$