985526
  -OEChem-05092410302D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000    2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    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
    4.5981    1.0000    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
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 17  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
985526

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
417

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAGAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAAABgAAAHgBIAAABiADBkgYzlJYIFACoADFzdACQiCkBIqAXGCA2bFCkDQBEaEgEBCgLCQ5AISAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,5-dibromo-2-(4,6-dimethoxypyrimidin-2-yl)pyridazin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
4,5-dibromo-2-(4,6-dimethoxy-2-pyrimidinyl)-3-pyridazinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,5-dibromo-2-(4,6-dimethoxypyrimidin-2-yl)pyridazin-3-one

> <PUBCHEM_IUPAC_NAME>
4,5-dibromo-2-(4,6-dimethoxypyrimidin-2-yl)pyridazin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,5-bis(bromanyl)-2-(4,6-dimethoxypyrimidin-2-yl)pyridazin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5-dibromo-2-(4,6-dimethoxypyrimidin-2-yl)pyridazin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8Br2N4O3/c1-18-6-3-7(19-2)15-10(14-6)16-9(17)8(12)5(11)4-13-16/h3-4H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
IBDYVAJRWQQXGO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
391.89427

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8Br2N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
392.00

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=NC(=N1)N2C(=O)C(=C(C=N2)Br)Br)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=NC(=N1)N2C(=O)C(=C(C=N2)Br)Br)OC

> <PUBCHEM_CACTVS_TPSA>
76.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.89632

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
11  15  8
12  14  8
13  14  8
15  16  8
16  17  8
6  11  8
6  9  8
7  10  8
7  12  8
8  10  8
8  13  8
9  17  8

$$$$