2952346
  -OEChem-04262415502D

 32 33  0     0  0  0  0  0  0999 V2000
    3.5344    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    2.8348    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    5.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    3.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    3.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    4.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    5.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    3.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    4.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    3.1802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    6.4894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    6.4548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2629    4.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    6.4548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.6448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7387    2.5248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    2.5248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    4.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5344    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2952346

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgQAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHQAQAAAADAiBHggx8PbIEACgAyZiZACCgCkhAqAJmCAwZJiIKKLA2dGEJAhokAJIyCcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-<I>N</I>-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-N-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-aminoquinazolin-2-yl)-(3-fluorophenyl)amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H11FN4.ClH/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14;/h1-8H,(H3,16,17,18,19);1H

> <PUBCHEM_IUPAC_INCHIKEY>
AIJQZOIKFHECIG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
290.0734523

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12ClFN4

> <PUBCHEM_MOLECULAR_WEIGHT>
290.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N.Cl

> <PUBCHEM_CACTVS_TPSA>
63.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.0734523

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  14  8
12  16  8
12  17  8
13  15  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
4  10  8
4  8  8
5  10  8
5  9  8
7  11  8
7  8  8
7  9  8
8  13  8

$$$$