255399
  -OEChem-05191305182D

 39 41  0     0  0  0  0  0  0999 V2000
    8.9282   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5 18  2  0  0  0  0
  5 19  1  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 15  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
255399

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
271

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAAsWLAAAAAAAAABgAAAHgAYAAAAAADhgAYBEAdqFAAgAAAAJAAAAAkAAIIFIAAIAACCCAAACAADAAAIAAKQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4,6-dimorpholino-1,3,5-triazin-2-yl)hydrazine

> <PUBCHEM_IUPAC_CAS_NAME>
[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]hydrazine

> <PUBCHEM_IUPAC_NAME>
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)diazane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4,6-dimorpholino-s-triazin-2-yl)hydrazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H19N7O2/c12-16-9-13-10(17-1-5-19-6-2-17)15-11(14-9)18-3-7-20-8-4-18/h1-8,12H2,(H,13,14,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
PDVPMTPDISUWSY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
281.160023

> <PUBCHEM_MOLECULAR_FORMULA>
C11H19N7O2

> <PUBCHEM_MOLECULAR_WEIGHT>
281.31426

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C2=NC(=NC(=N2)NN)N3CCOCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C2=NC(=NC(=N2)NN)N3CCOCC3

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.160023

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  18  8
5  19  8
6  19  8
6  20  8
7  18  8
7  20  8

$$$$