68649033
  -OEChem-04262416112D

 43 44  0     0  0  0  0  0  0999 V2000
    8.3541    3.5936    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    7.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    7.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0258    4.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988    3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    4.3823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    7.6916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    1.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    3.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2438    6.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    7.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6238    7.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8124    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0258    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3541    3.5936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 43  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  1  0  0  0  0
 12 27  1  0  0  0  0
 13 18  1  0  0  0  0
 13 28  1  0  0  0  0
 14 21  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68649033

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAAAAAADAyhnwYz9vcIFACgAyZiZACCiCkhIqAJmCA/bJiOLuLE+duHPCjswBPY6CeQwAAOAAAAAAACEAAAAAAAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-ethoxyphenyl)-N,2-dimethyl-quinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-ethoxyphenyl)-N,2-dimethyl-4-quinazolinamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-ethoxyphenyl)-<I>N</I>,2-dimethylquinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-(2-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-ethoxyphenyl)-N,2-dimethyl-quinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methyl-(2-methylquinazolin-4-yl)-o-phenetyl-amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19N3O.ClH/c1-4-22-17-12-8-7-11-16(17)21(3)18-14-9-5-6-10-15(14)19-13(2)20-18;/h5-12H,4H2,1-3H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
DVWNXMBNBVRIQF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
329.1294900

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
329.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1N(C)C2=NC(=NC3=CC=CC=C32)C.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1N(C)C2=NC(=NC3=CC=CC=C32)C.Cl

> <PUBCHEM_CACTVS_TPSA>
38.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.1294900

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
10  16  8
12  17  8
13  18  8
15  19  8
16  20  8
17  19  8
18  20  8
4  14  8
4  6  8
5  14  8
5  9  8
6  7  8
7  12  8
7  9  8
8  10  8
8  13  8
9  15  8

$$$$