23724327
  -OEChem-05052414502D

 32 33  0     0  0  0  0  0  0999 V2000
    3.1014    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.1460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.6460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    8.1460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    5.1460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    7.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    6.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    8.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    4.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    3.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    3.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    7.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    4.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    5.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    5.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    8.8006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5309    3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    2.5260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    7.9560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028    4.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    5.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    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  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  2  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23724327

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
271

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHAAQAAAADAiBHgQ18PbIEACgAyZjZACCgCkxAqAJ2CA4ZJiIKOLA2dGEJAhokALIyCcQgAAOAAAAAAQCAAAAAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N3-quinazolin-4-ylbenzene-1,3-diamine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N3-(4-quinazolinyl)benzene-1,3-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-<I>N</I>-quinazolin-4-ylbenzene-1,3-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
3-N-quinazolin-4-ylbenzene-1,3-diamine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N3-quinazolin-4-ylbenzene-1,3-diamine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-aminophenyl)-quinazolin-4-yl-amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12N4.ClH/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14;/h1-9H,15H2,(H,16,17,18);1H

> <PUBCHEM_IUPAC_INCHIKEY>
ZANCZNJZPCTZCP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
272.0828741

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13ClN4

> <PUBCHEM_MOLECULAR_WEIGHT>
272.73

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

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

> <PUBCHEM_CACTVS_TPSA>
63.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.0828741

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  15  8
11  14  8
12  16  8
13  17  8
14  18  8
15  16  8
17  18  8
3  19  8
3  7  8
4  19  8
4  8  8
6  10  8
6  7  8
6  8  8
8  12  8
9  11  8
9  13  8

$$$$