
 CHEMBL2036951

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.4611    0.1988    0.9006 C   0  0  0  0  0
    0.2895   -0.1129    0.3187 C   0  0  0  0  0
   -0.6940    0.9450    0.1324 C   0  0  0  0  0
   -0.3832    2.1909    0.5242 C   0  0  0  0  0
   -1.2305    3.2442    0.3614 N   0  0  0  0  0
   -2.4516    3.1473   -0.2331 C   0  0  0  0  0
   -3.1964    4.1109   -0.3606 O   0  0  0  0  0
   -2.7924    1.8995   -0.6642 N   0  0  0  0  0
   -2.0558    0.7622   -0.4664 C   0  0  0  0  0
   -2.5237   -0.3367   -0.7485 O   0  0  0  0  0
    0.8344    2.5259    1.1369 O   0  0  0  0  0
    1.7726    1.5618    1.3641 C   0  0  0  0  0
    2.8393    1.7985    1.9180 O   0  0  0  0  0
    0.0509   -1.5173   -0.1883 C   0  0  0  0  0
   -0.7354   -2.3726    0.8120 C   0  0  0  0  0
   -0.9891   -3.8035    0.3329 C   0  0  0  0  0
   -1.8745   -3.8965   -0.8969 C   0  0  0  0  0
   -1.1881   -3.4907   -1.9937 F   0  0  0  0  0
   -2.1869   -5.2017   -1.1109 F   0  0  0  0  0
    2.2468   -0.5318    1.0583 H   0  0  0  0  0
   -0.9492    4.1630    0.6822 H   0  0  0  0  0
   -3.7125    1.7925   -1.0639 H   0  0  0  0  0
    1.0156   -2.0091   -0.3756 H   0  0  0  0  0
   -0.4337   -1.4775   -1.1682 H   0  0  0  0  0
   -1.6939   -1.9034    1.0605 H   0  0  0  0  0
   -0.1716   -2.4259    1.7526 H   0  0  0  0  0
   -1.4558   -4.3711    1.1465 H   0  0  0  0  0
   -0.0307   -4.2933    0.1227 H   0  0  0  0  0
   -2.8001   -3.3215   -0.8093 H   0  0  0  0  0
  1 12  1  0  0  0
  1  2  2  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
 15 26  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2036951

>  <PubChem CID>
59343664

>  <Formula>
C11H10F2N2O4

>  <Molecular Weight>
272.208000

>  <IUPAC Name>
5-(4,4-difluorobutyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=C(C2=C(NC(=O)NC2=O)OC1=O)CCCC(F)F

>  <Isomeric SMILES>
C1=C(C2=C(NC(=O)NC2=O)OC1=O)CCCC(F)F

>  <InChI Std. ID>
InChI=1S/C11H10F2N2O4/c12-6(13)3-1-2-5-4-7(16)19-10-8(5)9(17)14-11(18)15-10/h4,6H,1-3H2,(H2,14,15,17,18)

>  <InChI Key>
CXWCPIWRMMMGLD-UHFFFAOYSA-N

