52914826
  -OEChem-04262408462D

 55 58  0     0  0  0  0  0  0999 V2000
    4.5799   -2.4972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.4825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3233   -1.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4632   -1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951   -1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400   -3.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1720   -3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4285   -4.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1604   -4.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2887   -4.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7081   -2.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2694    0.5776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8630   -0.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8160   -0.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4254    0.5527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2444   -1.5875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4004   -1.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069   -0.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -2.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880   -4.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6937   -4.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815   -5.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4403    3.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6639    3.8534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8161    4.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043   -2.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676   -3.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119   -3.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.4802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    4.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    4.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 27  1  0  0  0  0
  2 23  1  0  0  0  0
  2 28  1  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  2  0  0  0  0
  6 19  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  2  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  2  0  0  0  0
 16 22  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 40  1  0  0  0  0
 21 24  1  0  0  0  0
 21 41  1  0  0  0  0
 22 25  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52914826

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADAzBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA/7JiPbqLE+duVNCpuwBva6Cew0BMOIEABAgACUABAgAIEAASgAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methylquinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylquinazoline

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylquinazoline

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazino]-2-methyl-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H26N4O3/c1-15-23-17-14-21(29-4)20(28-3)13-16(17)22(24-15)26-11-9-25(10-12-26)18-7-5-6-8-19(18)27-2/h5-8,13-14H,9-12H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
CCQPDXZIANCXGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
394.20049070

> <PUBCHEM_MOLECULAR_FORMULA>
C22H26N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
394.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)C4=CC=CC=C4OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)C4=CC=CC=C4OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.20049070

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  14  8
13  15  8
13  16  8
14  17  8
14  18  8
15  20  8
16  22  8
17  21  8
18  23  8
20  25  8
21  24  8
22  25  8
23  24  8
6  12  8
6  19  8
7  17  8
7  19  8

$$$$