16192893
  -OEChem-04262413462D

 46 48  0     1  0  0  0  0  0999 V2000
    8.3522    4.8858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8768    1.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    3.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    6.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    2.1554    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2588    1.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678    0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5678    0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    4.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    6.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    7.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    8.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    8.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    9.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    9.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    9.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202    2.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9488    2.1046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    1.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614    0.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1742    0.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    3.0478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798    3.7380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    3.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    4.0008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    7.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    6.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    7.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5309    7.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    9.4654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5309    9.4654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338   10.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3522    4.8858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 46  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 35  1  0  0  0  0
  4 12  2  0  0  0  0
  4 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16192893

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
388

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAACx9AAAHgAQAAAADBzhngYx8PbIFACgAyZiZACCgCkhAqAJmKA4ZJiKKKLA2dGHJAhskALYyCeQkAIOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N2-phenyl-N4-(tetrahydrofuran-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N4-(2-oxolanylmethyl)-N2-phenylquinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-<I>N</I>-(oxolan-2-ylmethyl)-2-<I>N</I>-phenylquinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N4-(oxolan-2-ylmethyl)-N2-phenyl-quinazoline-2,4-diamine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-anilinoquinazolin-4-yl)-(tetrahydrofurfuryl)amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20N4O.ClH/c1-2-7-14(8-3-1)21-19-22-17-11-5-4-10-16(17)18(23-19)20-13-15-9-6-12-24-15;/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,22,23);1H

> <PUBCHEM_IUPAC_INCHIKEY>
GEAOOIVRFUJBPR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
356.1403890

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21ClN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
356.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4.Cl

> <PUBCHEM_CACTVS_TPSA>
59.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.1403890

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
12  13  8
13  14  8
13  15  8
14  17  8
15  18  8
17  19  8
18  19  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8
4  12  8
4  16  8
5  14  8
5  16  8
7  11  3

$$$$