1043
  -OEChem-05042418052D

 14 15  0     0  0  0  0  0  0999 V2000
    4.6260    1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1043

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
116

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjgAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAACx+AAAHAAAAAAACAjBFwQt8L4IEACgARZnZACAgC0REqAJUCA4dBCASMBASEAUBAgIAALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pteridine

> <PUBCHEM_IUPAC_CAS_NAME>
pteridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
pteridine

> <PUBCHEM_IUPAC_NAME>
pteridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pteridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pteridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H

> <PUBCHEM_IUPAC_INCHIKEY>
CPNGPNLZQNNVQM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.6

> <PUBCHEM_EXACT_MASS>
132.043596145

> <PUBCHEM_MOLECULAR_FORMULA>
C6H4N4

> <PUBCHEM_MOLECULAR_WEIGHT>
132.12

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN=C2C(=N1)C=NC=N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN=C2C(=N1)C=NC=N2

> <PUBCHEM_CACTVS_TPSA>
51.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
132.043596145

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
1  5  8
1  8  8
2  6  8
2  9  8
3  10  8
3  6  8
4  10  8
4  7  8
5  6  8
5  7  8
8  9  8

$$$$