93198
  -OEChem-05072415582D

 27 27  0     0  0  0  0  0  0999 V2000
    0.5369    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  2  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 18  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
93198

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
199

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBj8AAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAABgAQAAAAAAAAAAABEAbIEAAoAAAANAAAAAkAAIABAAAAAACACAAAAAAAAAAIASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_NAME>
1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
isocyanuric acid;melamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9)

> <PUBCHEM_IUPAC_INCHIKEY>
ZQKXQUJXLSSJCH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
255.08283518

> <PUBCHEM_MOLECULAR_FORMULA>
C6H9N9O3

> <PUBCHEM_MOLECULAR_WEIGHT>
255.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=NC(=NC(=N1)N)N)N.C1(=O)NC(=O)NC(=O)N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=NC(=NC(=N1)N)N)N.C1(=O)NC(=O)NC(=O)N1

> <PUBCHEM_CACTVS_TPSA>
204

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.08283518

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  13  8
4  14  8
5  13  8
5  15  8
6  14  8
6  15  8
7  16  8
7  17  8
8  16  8
8  18  8
9  17  8
9  18  8

$$$$