2803014
  -OEChem-05211306422D

 30 32  0     0  0  0  0  0  0999 V2000
    3.7320    0.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    3.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.9598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    2.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.3973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 18  2  0  0  0  0
  3 20  2  0  0  0  0
  4 18  1  0  0  0  0
  4 20  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 10 22  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2803014

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
462

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAADBUAAAHgAQAAAADACBmAAxAMLAAACIAiFSEACCAAAgAAAIiAEAAMiIICqIURCEIAAohSIIiYcAgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(1-naphthylmethylene)hexahydropyrimidine-2,4,6-trione

> <PUBCHEM_IUPAC_CAS_NAME>
5-(1-naphthalenylmethylidene)-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME>
5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(1-naphthylmethylene)barbituric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10N2O3/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
IRRHWYDVBCZPOS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
266.069142

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
266.2515

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)NC(=O)NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)NC(=O)NC3=O

> <PUBCHEM_CACTVS_TPSA>
75.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.069142

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$