56593290
  -OEChem-05221321032D

 62 66  0     0  0  0  0  0  0999 V2000
    3.7320   -2.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    4.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    4.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716    2.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494    3.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244    2.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7070    4.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    4.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    4.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.3221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.3221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.4870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.4870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701    1.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003    2.2684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    2.4986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6104    4.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880    5.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704    4.5097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 29  1  0  0  0  0
  2 22  1  0  0  0  0
  2 30  1  0  0  0  0
  3 23  1  0  0  0  0
  3 31  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 28  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 32  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56593290

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
598

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAGAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADQzhnwYz9vcIFACgAyZiZACCiCkhIqAJmCA/7JiPbqLE+duXPCruwBva6Cew0BMOIEABAgACUABAgAIEAASgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-cyclopropyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
2-cyclopropyl-4-[4-(2-ethoxyphenyl)-1-piperazinyl]-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_NAME>
2-cyclopropyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-cyclopropyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-cyclopropyl-6,7-dimethoxy-4-(4-o-phenetylpiperazino)quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N4O3/c1-4-32-21-8-6-5-7-20(21)28-11-13-29(14-12-28)25-18-15-22(30-2)23(31-3)16-19(18)26-24(27-25)17-9-10-17/h5-8,15-17H,4,9-14H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
XIRHJHRIOVVCQO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
434.231791

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
434.5307

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.231791

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
12  17  8
17  18  8
17  20  8
18  21  8
19  24  8
19  25  8
20  22  8
21  23  8
22  23  8
24  26  8
25  27  8
26  28  8
27  28  8
5  11  8
5  12  8
7  11  8
7  18  8

$$$$