70550311
  -OEChem-05132401122D

 42 43  0     1  0  0  0  0  0999 V2000
    4.0089    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    4.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    6.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6142    4.4958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.8783    3.5024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4822    4.9924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120    4.4919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    6.0474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822    4.5024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7501    4.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6104    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7424    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    5.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    5.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    6.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120    6.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    6.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    5.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    6.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    3.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    7.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8846    5.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505    5.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    5.4756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8202    2.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2213    3.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3421    2.5257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402    3.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179    4.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846    5.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048    7.1812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    3.9066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    7.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    2.9066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    3.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    7.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    8.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0089    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 42  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70550311

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAYAAAADCzBnwY/1vbKFACgAzZnZACCiCkxIqAR+KA+7JiNbqLE+duUNCpu0BvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-amine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
3-(6,7-dimethoxy-2-quinazolinyl)-1-piperazinamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-amine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
3-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-amine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-amine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-(6,7-dimethoxyquinazolin-2-yl)piperazino]amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H19N5O2.ClH/c1-20-12-5-9-7-17-14(11-8-19(15)4-3-16-11)18-10(9)6-13(12)21-2;/h5-7,11,16H,3-4,8,15H2,1-2H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
RKLSGOVNQYXSQL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
325.1305526

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20ClN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
325.79

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C=NC(=N2)C3CN(CCN3)N)OC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C=NC(=N2)C3CN(CCN3)N)OC.Cl

> <PUBCHEM_CACTVS_TPSA>
85.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
325.1305526

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  15  8
14  17  8
15  16  8
15  18  8
17  19  8
18  20  8
19  20  8
7  13  8
7  14  8
8  13  8
8  16  8
9  13  3

$$$$