2560596
  -OEChem-06192423172D

 27 28  0     0  0  0  0  0  0999 V2000
    7.7935    2.5591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -0.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1722    0.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259    1.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259   -2.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -2.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185   -2.9037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152   -2.1218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    1.6576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -2.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -2.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7945    2.9726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012    2.4402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4 16  2  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2560596

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
385

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAEABgAAAHgIYAAAADA+BmEAChILiBECoA4FwUACSCAAtIAASiAE0TNlMJj7M9JvOGejm/DHI6Ua/AAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(4,5-dimethyl-1-oxo-2<I>H</I>-furo[3,4-d]pyridazin-7-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(1-keto-4,5-dimethyl-2H-furo[3,4-d]pyridazin-7-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10ClN3O3/c1-4-7-5(2)17-10(12-6(15)3-11)8(7)9(16)14-13-4/h3H2,1-2H3,(H,12,15)(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
NLHCJPFFSRFOAL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
255.0410689

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
255.66

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CCl)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CCl)C

> <PUBCHEM_CACTVS_TPSA>
83.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.0410689

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  10  8
2  11  8
6  13  8
6  7  8
7  12  8
8  10  8
8  12  8
8  9  8
9  11  8
9  13  8

$$$$
