51890722
  -OEChem-04192416462D

 33 35  0     0  0  0  0  0  0999 V2000
    4.4487    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1808    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8008   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    0.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    0.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
51890722

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
532

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAAABwAAAHgAAAAAADAihmAIzxIMABECoAi1S9ACCCAElIgAJiAEGbMgMJjrM/ZuGOSjkxBHI6YcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z)-5-(3-furylmethylene)-4,6-dioxo-1-(p-tolyl)pyrimidin-2-olate

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z)-5-(3-furanylmethylidene)-1-(4-methylphenyl)-4,6-dioxo-2-pyrimidinolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>)-5-(furan-3-ylmethylidene)-1-(4-methylphenyl)-4,6-dioxopyrimidin-2-olate

> <PUBCHEM_IUPAC_NAME>
(5Z)-5-(furan-3-ylmethylidene)-1-(4-methylphenyl)-4,6-dioxopyrimidin-2-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-5-(furan-3-ylmethylidene)-1-(4-methylphenyl)-4,6-bis(oxidanylidene)pyrimidin-2-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-5-(3-furfurylidene)-4,6-diketo-1-(p-tolyl)pyrimidin-2-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O4/c1-10-2-4-12(5-3-10)18-15(20)13(14(19)17-16(18)21)8-11-6-7-22-9-11/h2-9H,1H3,(H,17,19,21)/p-1/b13-8-

> <PUBCHEM_IUPAC_INCHIKEY>
SBMGYJWFXRUVER-JYRVWZFOSA-M

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
295.07188184

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11N2O4-

> <PUBCHEM_MOLECULAR_WEIGHT>
295.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)N2C(=O)C(=CC3=COC=C3)C(=O)N=C2[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=COC=C3)/C(=O)N=C2[O-]

> <PUBCHEM_CACTVS_TPSA>
85.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.07188184

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
10  13  8
11  14  8
12  13  8
12  14  8
18  20  8
18  21  8
2  21  8
2  22  8
20  22  8
7  10  8
7  11  8

$$$$