161930
  -OEChem-05102415452D

 36 38  0     0  0  0  0  0  0999 V2000
    6.0010   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  1  0  0  0  0
  2 36  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 31  1  0  0  0  0
 20 23  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
161930

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
502

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHgAUCAAADAzBmAQxxoPQQgCJAiRCUwCCAAAhIgAoiAAPbIqKJiLSkZOEcAhsxhPY2CeQwAAOAAAAQAAAEAAAAACAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)

> <PUBCHEM_IUPAC_INCHIKEY>
RCEFMOGVOYEGJN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
311.09060590

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
311.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
98.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
311.09060590

> <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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
11  15  8
13  16  8
13  17  8
14  19  8
15  20  8
16  18  8
17  21  8
18  22  8
19  23  8
20  23  8
21  22  8

$$$$