63386
  -OEChem-05092408512D

 33 35  0     0  0  0  0  0  0999 V2000
    2.9176   -1.3019    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.7673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    2.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -2.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  2  0  0  0  0
 12 22  1  0  0  0  0
 13 20  2  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 21  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63386

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAGAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgIAAAAADAqBmCAzwIMAAACoAidydACCAAElBwAJiAEQZsgIIDrB35GEIYhghADIzUcYiACOAABAIAIDAAAAAIBABAYAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-(4-chloro-2-methyl-phenyl)-2-methyl-quinazolin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-(4-chloro-2-methylphenyl)-2-methyl-4-quinazolinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-(4-chloro-2-methylphenyl)-2-methylquinazolin-4-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-(4-chloro-2-methylphenyl)-2-methylquinazolin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-(4-chloranyl-2-methyl-phenyl)-2-methyl-quinazolin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-(4-chloro-2-methyl-phenyl)-2-methyl-quinazolin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12Cl2N2O/c1-9-8-11(17)6-7-14(9)20-10(2)19-13-5-3-4-12(18)15(13)16(20)21/h3-8H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
KUIHLOHNUGOCTO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.8

> <PUBCHEM_EXACT_MASS>
318.0326684

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
319.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)Cl)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)Cl)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)C

> <PUBCHEM_CACTVS_TPSA>
32.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.0326684

> <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  15  8
11  16  8
12  18  8
13  20  8
15  19  8
16  21  8
18  19  8
20  21  8
4  7  8
4  9  8
5  11  8
5  7  8
6  10  8
6  12  8
8  11  8
8  13  8
8  9  8

$$$$