65676164
  -OEChem-05122421582D

 36 38  0     0  0  0  0  0  0999 V2000
    3.5827    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    2.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    2.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.7008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    1.9945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    2.6111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8708   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4908   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65676164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzgAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHAAQAAAADADBGwQzEIfIEACgAiJiJACCgAkgAKAJiKAoBJiIKKKAmRGEIAhogAKIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-4-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

> <PUBCHEM_IUPAC_NAME>
N-methyl-4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methyl-(4-phenyl-6-pyrrolidino-s-triazin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H17N5/c1-15-13-16-12(11-7-3-2-4-8-11)17-14(18-13)19-9-5-6-10-19/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,16,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
HLWMXQPTRUMTRP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
255.14839556

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17N5

> <PUBCHEM_MOLECULAR_WEIGHT>
255.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1=NC(=NC(=N1)C2=CC=CC=C2)N3CCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1=NC(=NC(=N1)C2=CC=CC=C2)N3CCCC3

> <PUBCHEM_CACTVS_TPSA>
53.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.14839556

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
13  14  8
13  15  8
14  16  8
15  17  8
16  19  8
17  19  8
2  10  8
2  11  8
3  10  8
3  12  8
4  11  8
4  12  8

$$$$