22997364
  -OEChem-05211303202D

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    0.0000    8.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1332   10.7534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8602    4.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8602    6.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1962    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1962    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9962    6.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7320    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8660    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8660    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8564    7.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    3.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    3.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    3.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082    3.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    2.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082    1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    2.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7101    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829    3.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829    7.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0361    4.5544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2663    5.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203    5.6306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    7.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    8.2641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1332   10.7534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
22997364

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
497

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgIAAAAADA7BnyYz9vcIFACgAyZiZACCiCkhJ6AJmCA+7piNbqLF+9uUNCpuwBvK6Cew0BMOJEABAgACQABIgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-4-(4-methyl-1-piperazinyl)quinazoline;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-4-(4-methylpiperazino)quinazoline;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H23ClN4O2.ClH/c1-25-8-10-26(11-9-25)21-16-12-18(27-2)19(28-3)13-17(16)23-20(24-21)14-4-6-15(22)7-5-14;/h4-7,12-13H,8-11H2,1-3H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
CRUFWWOOMZVAHQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
434.127631

> <PUBCHEM_MOLECULAR_FORMULA>
C21H24Cl2N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
435.34686

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.127631

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
15  16  8
15  17  8
16  19  8
17  20  8
19  21  8
20  21  8
22  23  8
22  24  8
23  25  8
24  26  8
25  28  8
26  28  8
7  13  8
7  18  8
8  16  8
8  18  8

$$$$