2037119
  -OEChem-05082405272D

 63 66  0     1  0  0  0  0  0999 V2000
    8.9282   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    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
    6.3301    0.7500    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    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2500    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
    8.9282    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    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
    8.0622   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    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
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.5600    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
   10.3312    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842   -5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 32  1  0  0  0  0
  2 26  1  0  0  0  0
  2 33  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  6 42  1  0  0  0  0
  7 20  1  0  0  0  0
  7 27  2  0  0  0  0
  8 20  2  0  0  0  0
  8 28  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 43  1  0  0  0  0
 17 22  2  0  0  0  0
 17 44  1  0  0  0  0
 18 23  1  0  0  0  0
 18 45  1  0  0  0  0
 19 24  2  0  0  0  0
 19 46  1  0  0  0  0
 21 25  2  0  0  0  0
 21 47  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 26  2  0  0  0  0
 23 49  1  0  0  0  0
 24 26  1  0  0  0  0
 24 50  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2037119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
608

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAAAB0AAAHgAQAAAADAzBngYzlpfIFACgAyRiZACCiCkhIqAJmCA+bJiMLiLE+duENChswBNI6CeQ0AIOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine

> <PUBCHEM_IUPAC_NAME>
N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[1,3-bis(p-anisyl)-2,4-dihydro-s-triazin-6-yl]-(4,6-dimethylpyrimidin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N6O2/c1-18-13-19(2)28-24(27-18)29-25-26-16-30(14-20-5-9-22(32-3)10-6-20)17-31(25)15-21-7-11-23(33-4)12-8-21/h5-13H,14-17H2,1-4H3,(H,26,27,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
HHFTZXSKANTTSL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
446.24302422

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30N6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
446.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NC(=N1)NC2=NCN(CN2CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NC(=N1)NC2=NCN(CN2CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC)C

> <PUBCHEM_CACTVS_TPSA>
75.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
446.24302422

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
14  16  8
14  17  8
15  18  8
15  19  8
16  21  8
17  22  8
18  23  8
19  24  8
21  25  8
22  25  8
23  26  8
24  26  8
27  29  8
28  29  8
7  20  8
7  27  8
8  20  8
8  28  8

$$$$