null
  CDK     0224162154
null
 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.9317   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -2.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -2.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -4.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -4.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -2.6029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  2  1  0  0  0  0 
  4  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 11  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:92576

> <NAME>
2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

> <STAR>
2

> <FORMULA>
C16H12N4OS

> <MASS>
308.359

> <MONOISOTOPIC_MASS>
308.07318

> <CHARGE>
0

> <SMILES>
CC1=CC(=CC=C1)NC2=NN3C(=O)C4=CC=CC=C4N=C3S2

> <INCHI>
InChI=1S/C16H12N4OS/c1-10-5-4-6-11(9-10)17-15-19-20-14(21)12-7-2-3-8-13(12)18-16(20)22-15/h2-9H,1H3,(H,17,19)

> <INCHIKEY>
LCVNTDGCWYGYIW-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-2723

$$$$