69124105
  -OEChem-04242420502D

 41 43  0     0  0  0  0  0  0999 V2000
    3.6636    2.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    1.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945    1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0972    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7723   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7723   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5647   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313   -4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3513   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    0.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424    0.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    2.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    1.4015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 21  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  2  3  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69124105

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
495

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAzBmAQzxIPABECIAqVSUACCCAAlIgAIiAEObMiMJjrE9ZuGOSjsxzPI6aeYgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-ethylphenyl)-5-[(5-methyl-2-furyl)methylene]hexahydropyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-ethylphenyl)-5-[(5-methyl-2-furanyl)methylidene]-1,3-diazinane-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-ethylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4-dione

> <PUBCHEM_IUPAC_NAME>
1-(4-ethylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-ethylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-ethylphenyl)-5-[(5-methyl-2-furyl)methylene]-5,6-dihydrouracil

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H18N2O3/c1-3-13-5-7-15(8-6-13)20-11-14(17(21)19-18(20)22)10-16-9-4-12(2)23-16/h4-10H,3,11H2,1-2H3,(H,19,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
OJDFFEQSVUJKEL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
310.13174244

> <PUBCHEM_MOLECULAR_FORMULA>
C18H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
310.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC=C(C=C1)N2CC(=CC3=CC=C(O3)C)C(=O)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC=C(C=C1)N2CC(=CC3=CC=C(O3)C)C(=O)NC2=O

> <PUBCHEM_CACTVS_TPSA>
62.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
310.13174244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  18  8
1  21  8
11  15  8
11  16  8
12  15  8
13  16  8
18  20  8
20  22  8
21  22  8
7  14  1
8  12  8
8  13  8

$$$$