-ISIS-  08091621332D

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    2.5833   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
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  6  1  1  0  0  0  0
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  5  4  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <ID> (BBL000522)
BBL000522

>  <Rotatable_Bonds> (BBL000522)
3

>  <logP> (BBL000522)
4.686

>  <PSA> (BBL000522)
86.21

>  <H_Donors> (BBL000522)
0

>  <H_Acceptors> (BBL000522)
1

>  <Number_of_rings> (BBL000522)
3

>  <NAME> (BBL000522)
5,6-dimethyl-3-phenyl-2-(prop-2-en-1-ylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one

>  <Mol_Weight> (BBL000522)
328.46

>  <Mol_Formula> (BBL000522)
C17H16N2OS2

>  <Smiles> (BBL000522)
C=CCSc1nc2sc(c(c2c(=O)n1c1ccccc1)C)C

>  <Alternative_identifier> (BBL000522)
MFCD01793552

$$$$