40929196
  -OEChem-04192404252D

 33 35  0     0  0  0  0  0  0999 V2000
    2.8090   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    4.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -0.2694    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5411    2.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381   -1.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -1.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381   -3.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -3.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211   -4.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -4.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1611   -4.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    3.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    3.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    4.7710    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>
40929196

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5E)-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-MDWZMJQESA-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

$$$$