
 2-(2,5-dinitrothiophen-3-yl)pyrimidine

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8316    0.7379    1.1367 C   0  0  0  0  0
   -1.3379    1.9835    1.4448 C   0  0  0  0  0
   -0.1190    2.4123    1.0668 N   0  0  0  0  0
    0.6101    1.5492    0.3431 C   0  0  0  0  0
    0.2371    0.3043    0.0031 N   0  0  0  0  0
   -0.9922   -0.0706    0.4060 C   0  0  0  0  0
    1.9453    1.9621   -0.0555 C   0  0  0  0  0
    2.3170    3.2776   -0.2380 C   0  0  0  0  0
    3.9460    3.4859   -0.6750 S   0  0  0  0  0
    4.2045    1.8057   -0.6486 C   0  0  0  0  0
    3.0684    1.0967   -0.3156 C   0  0  0  0  0
    5.5012    1.2560   -0.9528 N   0  0  0  0  0
    6.4115    2.0370   -1.2546 O   0  0  0  0  0
    5.6022    0.0242   -0.8858 O   0  0  0  0  0
    1.4989    4.4458   -0.1649 N   0  0  0  0  0
    1.7448    5.2447    0.7472 O   0  0  0  0  0
    0.6490    4.5760   -1.0551 O   0  0  0  0  0
   -2.8148    0.4148    1.4499 H   0  0  0  0  0
   -1.9230    2.6945    2.0216 H   0  0  0  0  0
   -1.2921   -1.0736    0.1148 H   0  0  0  0  0
    3.0281    0.0138   -0.2456 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6 20  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 21  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
M  CHG  4  12   1  14  -1  15   1  17  -1
M  END

>  <Chemical Name>
2-(2,5-dinitrothiophen-3-yl)pyrimidine

>  <PubChem CID>
3319616

>  <Formula>
C8H4N4O4S

>  <Molecular Weight>
252.204000

>  <IUPAC Name>
2-(2,5-dinitrothiophen-3-yl)pyrimidine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CN=C(N=C1)C2=C(SC(=C2)[N+](=O)[O-])[N+](=O)[O-]

>  <Isomeric SMILES>
C1=CN=C(N=C1)C2=C(SC(=C2)[N+](=O)[O-])[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H

>  <InChI Key>
JHHSYNZURGGRBL-UHFFFAOYSA-N

