1986
  Marvin  12300703363D          

 19 19  0  0  0  0            999 V2000
    2.0843   -2.4462   -0.5408 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7965   -1.3751   -0.4683 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414   -1.8189   -0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768   -3.4500   -1.7559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    2.6816   -0.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    1.0204   -0.4245 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    0.0856   -0.8771 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9985   -3.2628    0.8864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209    0.9165   -0.8546 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146   -1.1730   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    0.3510   -0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1671    2.2060    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2203    3.0031    0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    0.5727   -0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7270   -2.8249    1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538   -4.1618    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450    3.2678    1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819    3.9187    0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2836    2.4893    1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

> <PUBCHEM_BONDANNOTATIONS>
2  10  8
2  11  8
7  10  8
7  9  8
9  11  8

> <StdInChI>
InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)

> <StdInChIKey>
BZKPWHYZMXOIDC-UHFFFAOYSA-N

> <AuxInfo>
1/1/N:13,12,11,10,8,6,9,7,5,3,4,2,1/E:(10,11)/CRV:13.6/rA:19nSSOOONNNNCCCCHHHHHH/rB:;d1;d1;;;;s1;s7;s1s2d7;s2s6d9;d5s6;s12;s6;s8;s8;s13;s13;s13;/rC:2.0843,-2.4462,-.5408;-.7965,-1.3751,-.4683;3.5414,-1.8189,-.6547;1.8768,-3.45,-1.7559;-3.2833,2.6816,-.0743;-1.9966,1.0204,-.4245;1.302,.0856,-.8771;1.9985,-3.2628,.8864;.3209,.9165,-.8546;.9146,-1.173,-.6414;-.869,.351,-.594;-2.1671,2.206,.0824;-1.2203,3.0031,.8435;-2.7759,.5727,-.6883;1.727,-2.8249,1.6668;2.2538,-4.1618,.9225;-1.645,3.2678,1.8132;-.9819,3.9187,.3001;-.2836,2.4893,1.0589;

> <Formula>
C4 H6 N4 O3 S2

> <Mw>
222.2454

> <SMILES>
S(C1=NN=C(N([H])C(C([H])([H])[H])=O)S1)(N([H])[H])(=O)=O

> <CSID>
1909

$$$$