22206
  -OEChem-05042420432D

 31 31  0     0  0  0  0  0  0999 V2000
    4.7320   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7287   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5062   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8862    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  2  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22206

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
193

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzgAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIQAAAADIjBAAQDEAbIEAAgAAAAJAAAAAkAAIABAIAIAACACAAACAAAAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N2-tert-butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
N2-tert-butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-<I>N</I>-<I>tert</I>-butyl-6-chloro-4-<I>N</I>-ethyl-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_NAME>
2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N2-tert-butyl-6-chloranyl-N4-ethyl-1,3,5-triazine-2,4-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tert-butyl-[4-chloro-6-(ethylamino)-s-triazin-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
FZXISNSWEXTPMF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.1

> <PUBCHEM_EXACT_MASS>
229.1094232

> <PUBCHEM_MOLECULAR_FORMULA>
C9H16ClN5

> <PUBCHEM_MOLECULAR_WEIGHT>
229.71

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C

> <PUBCHEM_CACTVS_TPSA>
62.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
229.1094232

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
3  11  8
3  12  8
4  11  8
4  14  8
6  12  8
6  14  8

$$$$