70182802
  -OEChem-05132408192D

 36 38  0     0  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0019    0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598   -1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9918   -1.6508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5982    0.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0043    1.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    0.7738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70182802

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQAAAADAzBngY/1vbIFACgAzRnZACCiCkxIqAJ2CA+7JiNLqLE+duENCpu0BtK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-N-phenyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-N-phenyl-2-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-<I>N</I>-phenylquinazolin-2-amine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-N-phenylquinazolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-N-phenyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6,7-dimethoxyquinazolin-2-yl)-phenyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15N3O2/c1-20-14-8-11-10-17-16(18-12-6-4-3-5-7-12)19-13(11)9-15(14)21-2/h3-10H,1-2H3,(H,17,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
MCBABIOGLXZCHP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
281.116426730

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
281.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C=NC(=N2)NC3=CC=CC=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C=NC(=N2)NC3=CC=CC=C3)OC

> <PUBCHEM_CACTVS_TPSA>
56.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.116426730

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  11  8
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
3  12  8
3  7  8
5  12  8
5  13  8
6  13  8
6  7  8
6  8  8
7  9  8
8  10  8
9  11  8

$$$$