4791930
  -OEChem-06201303372D

 28 30  0     0  0  0  0  0  0999 V2000
    5.7988   -0.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259    1.0686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259   -2.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4775    1.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    1.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5287    2.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -2.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185   -3.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152   -2.2493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784    1.0107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3195    1.8797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -2.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -2.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814    2.7395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381    3.2766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 13 21  1  0  0  0  0
 14 17  2  0  0  0  0
 14 22  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4791930

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
363

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWJAAAAgAAAAAAAAAEAB4AAAHgAYAAAADAzBmgQ+hJNuFECoA7F3VACSiCA9IiAa2CE8bNgMJv7M9ZuOGejm7hHI6Ua/AAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,5-dimethyl-7-pyrrol-1-yl-2H-furo[3,4-d]pyridazin-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
4,5-dimethyl-7-(1-pyrrolyl)-2H-furo[3,4-d]pyridazin-1-one

> <PUBCHEM_IUPAC_NAME>
4,5-dimethyl-7-pyrrol-1-yl-2H-furo[3,4-d]pyridazin-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,5-dimethyl-7-pyrrol-1-yl-2H-furo[3,4-d]pyridazin-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5-dimethyl-7-pyrrol-1-yl-2H-furo[3,4-d]pyridazin-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11N3O2/c1-7-9-8(2)17-12(15-5-3-4-6-15)10(9)11(16)14-13-7/h3-6H,1-2H3,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
SWQDXGPOGLUBOB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
229.085127

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
229.23464

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(=NNC(=O)C2=C(O1)N3C=CC=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C(=NNC(=O)C2=C(O1)N3C=CC=C3)C

> <PUBCHEM_CACTVS_TPSA>
59.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
229.085127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  8  8
1  9  8
13  16  8
14  17  8
16  17  8
3  13  8
3  14  8
4  11  8
4  5  8
5  10  8
6  10  8
6  7  8
6  9  8
7  11  8
7  8  8

$$$$