null
  CDK     0225161909
null
 25 29  0  0  0  0  0  0  0  0999 V2000
   -1.9105    0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1518    1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918    0.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668    0.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9268    0.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281   -0.4789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0695   -0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5905   -0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881   -0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2468   -0.6498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9068   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -1.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5566   -2.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163   -0.9856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222   -1.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1651   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996   -3.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468   -4.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494   -2.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7826   -3.0686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577   -3.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147   -2.2677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.7930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 11  1  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 13  1  0  0  0  0 
 18 20  1  0  0  0  0 
 12 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 21  1  0  0  0  0 
 25  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:121125

> <NAME>
LSM-32568

> <STAR>
2

> <FORMULA>
C18H24N6S

> <MASS>
356.490

> <MONOISOTOPIC_MASS>
356.17832

> <CHARGE>
0

> <SMILES>
CCN1CCN(CC1)C2=NC3=C(C4=C(S3)CCC(C4)C)C5=NC=NN52

> <INCHI>
InChI=1S/C18H24N6S/c1-3-22-6-8-23(9-7-22)18-21-17-15(16-19-11-20-24(16)18)13-10-12(2)4-5-14(13)25-17/h11-12H,3-10H2,1-2H3

> <INCHIKEY>
DOXASNGRDAYCRB-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-32568

$$$$