
 CHEMBL2036957

 36 38  0  0  0  0  0  0  0  0999 V2000
   -0.5673    0.1429   -0.3160 C   0  0  0  0  0
    0.0071   -1.1014   -0.9327 C   0  0  0  0  0
    0.9237   -0.0750   -0.3178 C   0  0  0  0  0
    1.6334   -0.3602    0.9744 C   0  0  0  0  0
    3.1228   -0.6217    0.7437 C   0  0  0  0  0
    3.8495   -0.9536    2.0490 C   0  0  0  0  0
    5.3415   -1.1991    1.7988 C   0  0  0  0  0
    6.0913   -1.5570    3.0625 C   0  0  0  0  0
    6.3016   -2.8506    3.3620 C   0  0  0  0  0
    7.0504   -3.2744    4.5568 C   0  0  0  0  0
    7.2017   -4.4643    4.8046 O   0  0  0  0  0
    7.5615   -2.2895    5.3502 O   0  0  0  0  0
    7.3459   -0.9415    5.0241 C   0  0  0  0  0
    6.6442   -0.5432    3.9503 C   0  0  0  0  0
    6.5008    0.9367    3.7703 C   0  0  0  0  0
    5.8357    1.4447    2.8752 O   0  0  0  0  0
    7.1525    1.7297    4.6770 N   0  0  0  0  0
    7.8482    1.2873    5.7623 C   0  0  0  0  0
    8.3712    2.0523    6.5633 O   0  0  0  0  0
    7.9160   -0.0651    5.8965 N   0  0  0  0  0
   -0.9666    0.9012   -0.9800 H   0  0  0  0  0
   -1.1048    0.0476    0.6202 H   0  0  0  0  0
   -0.0090   -1.1862   -2.0133 H   0  0  0  0  0
   -0.1568   -2.0404   -0.4145 H   0  0  0  0  0
    1.5007    0.5628   -0.9793 H   0  0  0  0  0
    1.1794   -1.2220    1.4800 H   0  0  0  0  0
    1.5143    0.5021    1.6416 H   0  0  0  0  0
    3.5812    0.2627    0.2844 H   0  0  0  0  0
    3.2451   -1.4465    0.0310 H   0  0  0  0  0
    3.3986   -1.8486    2.4970 H   0  0  0  0  0
    3.7095   -0.1361    2.7661 H   0  0  0  0  0
    5.8073   -0.3457    1.2952 H   0  0  0  0  0
    5.4369   -2.0239    1.0776 H   0  0  0  0  0
    5.9307   -3.6614    2.7417 H   0  0  0  0  0
    7.0629    2.7292    4.5663 H   0  0  0  0  0
    8.4317   -0.4208    6.6923 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 14  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 20  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2036957

>  <PubChem CID>
15604638

>  <Formula>
C14H16N2O4

>  <Molecular Weight>
276.292000

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

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CCCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3

>  <Isomeric SMILES>
C1CC1CCCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3

>  <InChI Std. ID>
InChI=1S/C14H16N2O4/c17-10-7-9(4-2-1-3-8-5-6-8)11-12(18)15-14(19)16-13(11)20-10/h7-8H,1-6H2,(H2,15,16,18,19)

>  <InChI Key>
BZUSEMKOQPHRPL-UHFFFAOYSA-N

