70000576
  -OEChem-04242419502D

 58 61  0     0  0  0  0  0  0999 V2000
    3.7320    1.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    4.2363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.2363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    3.2363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.7363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -3.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    3.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    4.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -2.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    4.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -3.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -4.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    4.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -4.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -4.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094    0.5816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094    3.8909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252   -0.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5912   -1.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2063    2.6536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6048    3.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.8563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -1.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.0463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608    2.1852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637    2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    4.1504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9502    4.8422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    1.7412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1839    5.2995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361    5.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597    4.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5912   -2.9537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5912   -4.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1702    4.1993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    5.0463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502    5.2732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -4.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -5.3837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 35  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  2  0  0  0  0
  6 10  2  0  0  0  0
  6 16  1  0  0  0  0
  7 25  1  0  0  0  0
  7 31  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 18 25  1  0  0  0  0
 19 37  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 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 26  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 27  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  2  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 32  2  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70000576

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
553

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/AAAHgAQAAAADAzhnwY/9vbIFACgAzZnZASCiCkxIqAJ2CA+7JiPLuLE+duHPCru0Bva6Cew0NMOIEABQgACQABAgAKEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-diethoxy-2-(methoxymethyl)-N-[3-(2-pyridyl)phenyl]quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-diethoxy-2-(methoxymethyl)-N-[3-(2-pyridinyl)phenyl]-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-diethoxy-2-(methoxymethyl)-<I>N</I>-(3-pyridin-2-ylphenyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
6,7-diethoxy-2-(methoxymethyl)-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-diethoxy-2-(methoxymethyl)-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[6,7-diethoxy-2-(methoxymethyl)quinazolin-4-yl]-[3-(2-pyridyl)phenyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H26N4O3/c1-4-31-22-14-19-21(15-23(22)32-5-2)28-24(16-30-3)29-25(19)27-18-10-8-9-17(13-18)20-11-6-7-12-26-20/h6-15H,4-5,16H2,1-3H3,(H,27,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
NTDCDJVCYFLICS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
430.20049070

> <PUBCHEM_MOLECULAR_FORMULA>
C25H26N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
430.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C2C(=C1)C(=NC(=N2)COC)NC3=CC=CC(=C3)C4=CC=CC=N4)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C2C(=C1)C(=NC(=N2)COC)NC3=CC=CC(=C3)C4=CC=CC=N4)OCC

> <PUBCHEM_CACTVS_TPSA>
78.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
430.20049070

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
11  12  8
12  13  8
13  14  8
15  17  8
15  20  8
17  18  8
18  21  8
20  22  8
21  22  8
25  28  8
28  29  8
29  32  8
31  32  8
5  16  8
5  9  8
6  10  8
6  16  8
7  25  8
7  31  8
8  10  8
8  11  8
8  9  8
9  14  8

$$$$