59213128
  -OEChem-04192422482D

 53 56  0     0  0  0  0  0  0999 V2000
    2.8680   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.0241    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
    6.3981   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0000    0.0000 N   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   -1.0000    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
    4.6381   -1.0347    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
    4.6381    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    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
    9.8622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    2.0000    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
   12.4602    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.0265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0573    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3 20  1  0  0  0  0
  3 25  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 23 43  1  0  0  0  0
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 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
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 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59213128

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
520

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAAAAAADAyBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA+7JiNLqLE+duGPCruwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-N,N-dimethyl-2-(4-phenoxyphenyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-N,N-dimethyl-2-(4-phenoxyphenyl)-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-<I>N</I>,<I>N</I>-dimethyl-2-(4-phenoxyphenyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-N,N-dimethyl-2-(4-phenoxyphenyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-N,N-dimethyl-2-(4-phenoxyphenyl)quinazolin-4-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N3O3/c1-27(2)24-19-14-21(28-3)22(29-4)15-20(19)25-23(26-24)16-10-12-18(13-11-16)30-17-8-6-5-7-9-17/h5-15H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
NEIVXXOQXDTEIT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
401.17394160

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
401.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
56.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
401.17394160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
10  13  8
12  14  8
13  14  8
15  18  8
15  19  8
18  21  8
19  22  8
20  21  8
20  22  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
5  11  8
5  8  8
6  11  8
6  9  8
7  10  8
7  8  8
7  9  8
9  12  8

$$$$