5464
  CDK     1019211605

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7308    0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405   -0.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3183    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2470   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7220    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2470    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4845   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1597    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1597   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4219    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6595    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6595   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4845    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  1  6  2  0  0  0  0 
  2 12  1  0  0  0  0 
  2 14  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4 15  1  0  0  0  0 
  7 17  2  0  0  0  0 
  8 19  2  0  0  0  0 
  9 14  1  0  0  0  0 
  9 16  1  0  0  0  0 
  9 17  1  0  0  0  0 
 10 17  1  0  0  0  0 
 10 19  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 14  1  0  0  0  0 
 16 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:182671

> <NAME>
Thymidine-3',5'-cyclic monophosphate sodium salt

> <STAR>
2

> <IUPAC_NAME>
1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-uro[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methylpyrimidine-2,4-dione

> <FORMULA>
C10H13N2O7P

> <MASS>
304.195

> <MONOISOTOPIC_MASS>
304.04604

> <CHARGE>
0

> <SMILES>
P1(OC2C(OC(N3C=C(C(=O)NC3=O)C)C2)CO1)(O)=O

> <INCHI>
InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)

> <INCHIKEY>
QSJFDOVQWZVUQG-UHFFFAOYSA-N

$$$$