2094
  -OEChem-05042420332D

 14 15  0     0  0  0  0  0  0999 V2000
    2.8660    1.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2094

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjoAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAEAAAAAAHgAYAAAADADBgAQBAAJiAACoAgN3dACAAAEAAAIQIIEgAFAAAAgAQAAAAAAAAAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

> <PUBCHEM_IUPAC_NAME>
1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
OFCNXPDARWKPPY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.5

> <PUBCHEM_EXACT_MASS>
136.03851076

> <PUBCHEM_MOLECULAR_FORMULA>
C5H4N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
136.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C2C(=NC=NC2=O)NN1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C2C(=NC=NC2=O)NN1

> <PUBCHEM_CACTVS_TPSA>
65.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.03851076

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

$$$$