
 CHEMBL2036955

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.5673   -0.0314    3.3977 C   0  0  0  0  0
    0.3564    0.0794    1.9129 C   0  0  0  0  0
    1.7467    0.1777    2.4844 C   0  0  0  0  0
    2.7341   -0.9346    2.2873 C   0  0  0  0  0
    3.6579   -0.6585    1.0973 C   0  0  0  0  0
    4.6441   -1.8178    0.8861 C   0  0  0  0  0
    5.6238   -1.6983   -0.2678 C   0  0  0  0  0
    5.7418   -0.5934   -1.0267 C   0  0  0  0  0
    6.6728   -0.5070   -2.1667 C   0  0  0  0  0
    6.7597    0.5276   -2.8173 O   0  0  0  0  0
    7.4044   -1.6191   -2.4610 O   0  0  0  0  0
    7.2892   -2.7640   -1.6595 C   0  0  0  0  0
    6.4703   -2.8430   -0.5986 C   0  0  0  0  0
    6.5116   -4.1317    0.1694 C   0  0  0  0  0
    5.9007   -4.3110    1.2170 O   0  0  0  0  0
    7.2955   -5.1274   -0.3495 N   0  0  0  0  0
    8.1218   -5.0042   -1.4262 C   0  0  0  0  0
    8.8513   -5.9147   -1.8006 O   0  0  0  0  0
    8.0873   -3.7955   -2.0510 N   0  0  0  0  0
    0.2548    0.8003    4.0193 H   0  0  0  0  0
    0.4323   -1.0027    3.8601 H   0  0  0  0  0
   -0.1036    0.9848    1.5336 H   0  0  0  0  0
    0.0709   -0.8186    1.3766 H   0  0  0  0  0
    2.2210    1.1528    2.5176 H   0  0  0  0  0
    2.2130   -1.8884    2.1379 H   0  0  0  0  0
    3.3337   -1.0370    3.1995 H   0  0  0  0  0
    4.2051    0.2751    1.2786 H   0  0  0  0  0
    3.0534   -0.5097    0.1936 H   0  0  0  0  0
    4.0431   -2.7237    0.7351 H   0  0  0  0  0
    5.2172   -1.9449    1.8136 H   0  0  0  0  0
    5.1611    0.3063   -0.8637 H   0  0  0  0  0
    7.3331   -5.9972    0.1585 H   0  0  0  0  0
    8.6895   -3.6796   -2.8572 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 12 19  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2036955

>  <PubChem CID>
15604637

>  <Formula>
C13H14N2O4

>  <Molecular Weight>
262.265000

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

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3

>  <Isomeric SMILES>
C1CC1CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3

>  <InChI Std. ID>
InChI=1S/C13H14N2O4/c16-9-6-8(3-1-2-7-4-5-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)

>  <InChI Key>
NFKAIVQHKVWFQF-UHFFFAOYSA-N

