58261697
  -OEChem-04232411172D

 47 50  0     0  0  0  0  0  0999 V2000
    6.3301   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  2  0  0  0  0
  3 24  2  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 29  1  0  0  0  0
 12 19  2  0  0  0  0
 12 30  1  0  0  0  0
 13 20  1  0  0  0  0
 13 31  1  0  0  0  0
 14 21  2  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58261697

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
415

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHAAAAAAADAjBHwQ/kJYIEACgAzZnZACCgCkxAqAJ2CA4ZJiIKKLA2dGEJAhogALIyCcQgMAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-methylpyrimidin-5-yl)-4,6-bis(p-tolyl)pyrimidine

> <PUBCHEM_IUPAC_CAS_NAME>
4,6-bis(4-methylphenyl)-2-(2-methyl-5-pyrimidinyl)pyrimidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,6-bis(4-methylphenyl)-2-(2-methylpyrimidin-5-yl)pyrimidine

> <PUBCHEM_IUPAC_NAME>
4,6-bis(4-methylphenyl)-2-(2-methylpyrimidin-5-yl)pyrimidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,6-bis(4-methylphenyl)-2-(2-methylpyrimidin-5-yl)pyrimidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-methylpyrimidin-5-yl)-4,6-bis(p-tolyl)pyrimidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20N4/c1-15-4-8-18(9-5-15)21-12-22(19-10-6-16(2)7-11-19)27-23(26-21)20-13-24-17(3)25-14-20/h4-14H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
XZBLAKGLYKXCCC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
352.16879665

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20N4

> <PUBCHEM_MOLECULAR_WEIGHT>
352.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CN=C(N=C3)C)C4=CC=C(C=C4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CN=C(N=C3)C)C4=CC=C(C=C4)C

> <PUBCHEM_CACTVS_TPSA>
51.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.16879665

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
1  10  8
1  5  8
11  18  8
12  19  8
13  20  8
14  21  8
15  18  8
15  19  8
16  20  8
16  21  8
17  24  8
17  25  8
2  10  8
2  6  8
3  24  8
3  26  8
4  25  8
4  26  8
5  9  8
6  9  8
7  11  8
7  12  8
8  13  8
8  14  8

$$$$