
 CHEMBL1672760

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.9081   -0.0771    2.0595 C   0  0  0  0  0
    1.8697    0.1935    0.5608 C   0  0  0  0  0
    2.2840    1.6055    0.2168 C   0  0  0  0  0
    3.5507    1.8431   -0.1632 C   0  0  0  0  0
    4.0198    3.1852   -0.5315 C   0  0  0  0  0
    5.1888    3.3621   -0.8539 O   0  0  0  0  0
    3.1016    4.1849   -0.4973 O   0  0  0  0  0
    1.7556    3.9544   -0.1111 C   0  0  0  0  0
    1.3434    2.7199    0.2435 C   0  0  0  0  0
   -0.0932    2.6054    0.6382 C   0  0  0  0  0
   -0.6202    1.5667    1.0217 O   0  0  0  0  0
   -0.8270    3.7502    0.5573 N   0  0  0  0  0
   -0.2757    4.9299    0.1749 C   0  0  0  0  0
    0.9620    5.0748   -0.1436 N   0  0  0  0  0
   -1.1699    6.1042    0.1477 C   0  0  0  0  0
   -1.2465    6.9693   -1.0887 C   0  0  0  0  0
   -2.4116    6.1032   -0.7146 C   0  0  0  0  0
    1.5776   -1.1005    2.2646 H   0  0  0  0  0
    1.2613    0.6058    2.6181 H   0  0  0  0  0
    2.9265    0.0291    2.4492 H   0  0  0  0  0
    0.8856   -0.0437    0.1443 H   0  0  0  0  0
    2.5493   -0.5200    0.0748 H   0  0  0  0  0
    4.3017    1.0629   -0.2149 H   0  0  0  0  0
   -1.8003    3.6877    0.8157 H   0  0  0  0  0
   -1.2283    6.6302    1.0964 H   0  0  0  0  0
   -0.6515    6.6875   -1.9511 H   0  0  0  0  0
   -1.3352    8.0407   -0.9490 H   0  0  0  0  0
   -3.2995    6.5917   -0.3291 H   0  0  0  0  0
   -2.6163    5.2480   -1.3490 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  8 14  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 16 26  1  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
 17 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672760

>  <PubChem CID>
53326575

>  <Formula>
C12H12N2O3

>  <Molecular Weight>
232.239000

>  <IUPAC Name>
2-cyclopropyl-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=CC(=O)OC2=C1C(=O)NC(=N2)C3CC3

>  <Isomeric SMILES>
CCC1=CC(=O)OC2=C1C(=O)NC(=N2)C3CC3

>  <InChI Std. ID>
InChI=1S/C12H12N2O3/c1-2-6-5-8(15)17-12-9(6)11(16)13-10(14-12)7-3-4-7/h5,7H,2-4H2,1H3,(H,13,14,16)

>  <InChI Key>
AGNDNMCPGBWVBF-UHFFFAOYSA-N

