43226
  -OEChem-05072417582D

 34 36  0     1  0  0  0  0  0999 V2000
    2.0000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320   -1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9220   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9220    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  2  0  0  0  0
  4 22  1  0  0  0  0
  5 15  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 11 24  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  2  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43226

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgIACAAADEbBmiQ9kJYIEgCgAjBnZACCgCkxBaAJ2CAoTpiILqLB21CEdAguwANI2CeQwOAOhAAAAAABAAAIAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-yl-methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(2-chlorophenyl)-(4-chlorophenyl)-(5-pyrimidinyl)methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol

> <PUBCHEM_IUPAC_NAME>
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-yl-methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-chlorophenyl)-(4-chlorophenyl)-(5-pyrimidyl)methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H

> <PUBCHEM_IUPAC_INCHIKEY>
NHOWDZOIZKMVAI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.6

> <PUBCHEM_EXACT_MASS>
330.0326684

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
331.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl

> <PUBCHEM_CACTVS_TPSA>
46

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.0326684

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  16  8
11  17  8
12  18  8
13  19  8
16  20  8
17  20  8
18  21  8
19  21  8
6  3  3
4  14  8
4  22  8
5  15  8
5  22  8
7  10  8
7  11  8
8  12  8
8  13  8
9  14  8
9  15  8

$$$$