70322700
  -OEChem-04242402562D

 45 47  0     0  0  0  0  0  0999 V2000
   10.6418   -3.5272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -0.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    2.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8047   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7932   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6765   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6534   -2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5367   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5251   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041   -0.8112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    2.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2527   -2.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6837    0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0772   -0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    3.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0584   -2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  4 37  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  2  0  0  0  0
  6 15  2  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70322700

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
401

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIQAAAADA6hniY39vbIFACgAyZjZACCiCkxJ6AJ2CA+7piNLuLF+9uGPCru0BvK6Cew0BMOIEABAgICQABAgAIEBASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-butoxy-N-(3-chlorophenyl)-7-methoxy-quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6-butoxy-N-(3-chlorophenyl)-7-methoxy-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-butoxy-<I>N</I>-(3-chlorophenyl)-7-methoxyquinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
6-butoxy-N-(3-chlorophenyl)-7-methoxyquinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-butoxy-N-(3-chlorophenyl)-7-methoxy-quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-butoxy-7-methoxy-quinazolin-4-yl)-(3-chlorophenyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20ClN3O2/c1-3-4-8-25-18-10-15-16(11-17(18)24-2)21-12-22-19(15)23-14-7-5-6-13(20)9-14/h5-7,9-12H,3-4,8H2,1-2H3,(H,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
XGSNMYMEALYPLI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
357.1244046

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
357.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC

> <PUBCHEM_CACTVS_TPSA>
56.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.1244046

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  14  8
12  16  8
14  16  8
18  20  8
18  21  8
20  22  8
21  23  8
22  25  8
23  25  8
5  12  8
5  19  8
6  15  8
6  19  8
8  12  8
8  13  8
8  15  8

$$$$