5425492
  -OEChem-04192420132D

 24 25  0     0  0  0  0  0  0999 V2000
    2.6691    0.9067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8008   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -0.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -1.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.2284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 12 14  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5425492

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
392

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABgAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAABgAAAHgQQAAAADACF0ASzAYPAAAiMAiFSEACDAIAgCBlIiBkIAMiIICqoURCEAAAogwIoiYYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z)-1-methyl-5-(2-thienylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z)-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>)-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_NAME>
(5Z)-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-1-methyl-5-(2-thenylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8N2O2S2/c1-12-9(14)7(8(13)11-10(12)15)5-6-3-2-4-16-6/h2-5H,1H3,(H,11,13,15)/b7-5-

> <PUBCHEM_IUPAC_INCHIKEY>
KPIIMIARIQSBMH-ALCCZGGFSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
252.00271985

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8N2O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
252.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C(=O)C(=CC2=CC=CS2)C(=O)NC1=S

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C(=O)/C(=C\C2=CC=CS2)/C(=O)NC1=S

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.00271985

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
1  12  8
1  16  8
12  14  8
14  15  8
15  16  8

$$$$