59242096
  -OEChem-05082415182D

 47 49  0     0  0  0  0  0  0999 V2000
    2.8680    0.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    2.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    1.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    1.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    0.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4822   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2 25  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  2  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 11 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59242096

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
414

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAAAAAADAyBngYz9vcIFACgAyZiZACCiCkhIqAJmCA+bJiMLuLE+duENChswBPI6CewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methoxy-N4-(4-methoxyphenyl)-N2,N2,N4-trimethyl-quinazoline-2,4-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
6-methoxy-N4-(4-methoxyphenyl)-N2,N2,N4-trimethylquinazoline-2,4-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methoxy-4-<I>N</I>-(4-methoxyphenyl)-2-<I>N</I>,2-<I>N</I>,4-<I>N</I>-trimethylquinazoline-2,4-diamine

> <PUBCHEM_IUPAC_NAME>
6-methoxy-4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-N4-(4-methoxyphenyl)-N2,N2,N4-trimethyl-quinazoline-2,4-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(dimethylamino)-6-methoxy-quinazolin-4-yl]-(4-methoxyphenyl)-methyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N4O2/c1-22(2)19-20-17-11-10-15(25-5)12-16(17)18(21-19)23(3)13-6-8-14(24-4)9-7-13/h6-12H,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
UVPCEKNVEJOEBA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
338.17427596

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
338.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=NC2=C(C=C(C=C2)OC)C(=N1)N(C)C3=CC=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=NC2=C(C=C(C=C2)OC)C(=N1)N(C)C3=CC=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.17427596

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  17  8
10  18  8
11  15  8
13  16  8
15  16  8
17  19  8
18  20  8
19  21  8
20  21  8
4  12  8
4  8  8
5  12  8
5  9  8
7  11  8
7  8  8
7  9  8
9  13  8

$$$$