18770837
  -OEChem-04242408522D

 44 45  0     0  0  0  0  0  0999 V2000
    6.5807    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5080    9.6904    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834    3.0198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    4.5336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    6.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    4.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    2.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436    2.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001    1.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6154    2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    5.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5922    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4755    2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4640    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064    3.1149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    2.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802    1.5371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9929    0.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916    1.2061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6225    3.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    5.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0160    2.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9973    1.1737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    7.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    7.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    9.6904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 44  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 16  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 17  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 22  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18770837

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
401

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIAAAAADA7BniY39vcIFACgAyZjZACCiCkxJ6AJ2CA+7piNLuLF+9uENCpuwBvK6Cew0BMOIEABAgICQABAgAIEBASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxy-quinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxy-4-quinazolinamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-chlorophenyl)-<I>N</I>-ethyl-6,7-dimethoxyquinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxyquinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxy-quinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-chlorophenyl)-(6,7-dimethoxyquinazolin-4-yl)-ethyl-amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H18ClN3O2.ClH/c1-4-22(13-7-5-6-12(19)8-13)18-14-9-16(23-2)17(24-3)10-15(14)20-11-21-18;/h5-11H,4H2,1-3H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
OMJVJEMEUUSIDE-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
379.0854322

> <PUBCHEM_MOLECULAR_FORMULA>
C18H19Cl2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
380.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(C1=CC(=CC=C1)Cl)C2=NC=NC3=CC(=C(C=C32)OC)OC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(C1=CC(=CC=C1)Cl)C2=NC=NC3=CC(=C(C=C32)OC)OC.Cl

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.0854322

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
11  18  8
11  19  8
12  15  8
13  14  8
14  16  8
15  16  8
18  21  8
19  22  8
21  23  8
22  23  8
6  20  8
6  8  8
7  12  8
7  20  8
8  9  8
9  12  8
9  13  8

$$$$