3916522
  -OEChem-04252417142D

 27 28  0     0  0  0  0  0  0999 V2000
    3.4782   -0.4945    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
    3.5827    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
    4.4487    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.9067    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
    7.0468   -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
    2.0000    0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    1.8849    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
    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
    1.3834    0.2284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677    2.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323    2.4913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    1.7560    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  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  3  9  2  0  0  0  0
  4 12  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  3  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3916522

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABgAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAABgAAAHgQQAAAADACF2ASzAYPAAAiMAiFSEACDAIAgCBlIiBkIAMiIICqoURCEAAAogwIoiYYAAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-5-[(3-methyl-2-thienyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-5-[(3-methyl-2-thiophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_NAME>
1-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-5-[(3-methyl-2-thienyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10N2O2S2/c1-6-3-4-17-8(6)5-7-9(14)12-11(16)13(2)10(7)15/h3-5H,1-2H3,(H,12,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
JGVPOYPATDMBCN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
266.01836991

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10N2O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(SC=C1)C=C2C(=O)NC(=S)N(C2=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(SC=C1)C=C2C(=O)NC(=S)N(C2=O)C

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.01836991

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  17  8
1  8  8
11  15  8
15  17  8
7  10  1
8  11  8

$$$$