70192478
  -OEChem-04162400362D

 36 38  0     0  0  0  0  0  0999 V2000
    4.6660   -1.0121    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.0121    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    3.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    3.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4 15  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  2  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  2  0  0  0  0
  7 18  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  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 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 26  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70192478

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
404

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MYAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwAQAAAADAyBngoz1vZIFACgAyRiZACCiCkhIqAJmCA27JiNLqLE+duENCpuwBtK6Cew0PMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(2,3-difluorophenyl)-6,7-dimethoxy-quinazolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2,3-difluorophenyl)-6,7-dimethoxy-2-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine

> <PUBCHEM_IUPAC_NAME>
4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2,3-bis(fluoranyl)phenyl]-6,7-dimethoxy-quinazolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-(2,3-difluorophenyl)-6,7-dimethoxy-quinazolin-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13F2N3O2/c1-22-12-6-9-11(7-13(12)23-2)20-16(19)21-15(9)8-4-3-5-10(17)14(8)18/h3-7H,1-2H3,(H2,19,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
XGIKPXNCRFFUDO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
317.09758299

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13F2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
317.29

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

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

> <PUBCHEM_CACTVS_TPSA>
70.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.09758299

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  14  8
11  13  8
12  16  8
12  17  8
13  15  8
14  15  8
16  19  8
17  20  8
19  21  8
20  21  8
5  18  8
5  9  8
6  10  8
6  18  8
8  10  8
8  11  8
8  9  8

$$$$