71421536
  -OEChem-05062413222D

 38 40  0     0  0  0  0  0  0999 V2000
    5.4804   -2.2844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.2911    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    1.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    0.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544    2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224    1.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    1.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1325   -0.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8646   -0.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4522    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    2.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581    2.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  3  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 24  2  0  0  0  0
 21 24  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71421536

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
437

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIAAAAADA6BnyIz1vYIFACgAyZiZACCiCkhJ6AJmCA27piNLqLF+9uENCpuwBvK6Cew0BMOIEABIgACQABAgAJEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-chloro-2-[2-(3-chlorophenyl)vinyl]-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-chloro-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chloro-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_NAME>
4-chloro-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxyquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranyl-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-chloro-2-[2-(3-chlorophenyl)vinyl]-6,7-dimethoxy-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14Cl2N2O2/c1-23-15-9-13-14(10-16(15)24-2)21-17(22-18(13)20)7-6-11-4-3-5-12(19)8-11/h3-10H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
AFNNROHOZGRGFE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
360.0432331

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14Cl2N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
361.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC(=CC=C3)Cl)Cl)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC(=CC=C3)Cl)Cl)OC

> <PUBCHEM_CACTVS_TPSA>
44.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
360.0432331

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <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
11  12  8
15  17  1
16  18  8
16  19  8
18  20  8
19  21  8
20  24  8
21  24  8
5  14  8
5  8  8
6  13  8
6  14  8
7  13  8
7  8  8
7  9  8
8  12  8
9  10  8

$$$$