70483559
  -OEChem-05231318022D

 51 54  0     0  0  0  0  0  0999 V2000
   12.4583    0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -1.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -1.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4545    1.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -1.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    0.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810   -2.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0745    1.1815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4521    1.7991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345    1.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6342   -1.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8644   -1.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0183   -0.8344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 27  1  0  0  0  0
  2 25  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  2  0  0  0  0
  5 16  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  2  0  0  0  0
  7 15  2  0  0  0  0
  7 22  1  0  0  0  0
  8 19  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 22  2  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 23  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 20 24  1  0  0  0  0
 20 38  1  0  0  0  0
 21 25  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70483559

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
505

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAACx/AAAHgAQAAAADAzBnwY/9vdIFACgAzZnZACCiCkxIqAJ2CA+7JiNbqLE+NuUNCpuwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-2-[4-(2-methyl-4-pyrimidinyl)-1-piperazinyl]-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N7O2/c1-12-21-5-4-17(22-12)25-6-8-26(9-7-25)19-23-14-11-16(28-3)15(27-2)10-13(14)18(20)24-19/h4-5,10-11H,6-9H2,1-3H3,(H2,20,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
MVLGEYMPKMNEBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.3

> <PUBCHEM_EXACT_MASS>
381.191323

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23N7O2

> <PUBCHEM_MOLECULAR_WEIGHT>
381.43162

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=CC(=N1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=CC(=N1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.191323

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  17  8
16  18  8
16  20  8
17  23  8
18  19  8
18  21  8
20  24  8
21  25  8
24  25  8
5  14  8
5  16  8
6  14  8
6  19  8
7  15  8
7  22  8
9  22  8
9  23  8

$$$$