
 SCH-900271

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.6668    0.8225   -0.5994 C   0  0  0  0  0
    3.3844   -0.4405    0.1754 C   0  0  0  0  0
    2.5030   -1.4744   -0.4954 C   0  0  0  0  0
    3.9709   -1.7406   -0.3353 C   0  0  0  0  0
    3.2339   -0.2516    1.6749 C   0  0  0  0  0
    4.5854   -0.2106    2.3945 C   0  0  0  0  0
    4.4151    0.1404    3.8765 C   0  0  0  0  0
    5.7299    0.1153    4.6226 C   0  0  0  0  0
    6.4077    1.2618    4.8094 C   0  0  0  0  0
    7.6890    1.3118    5.5313 C   0  0  0  0  0
    8.2823    2.3756    5.6661 O   0  0  0  0  0
    8.1714    0.1368    6.0269 O   0  0  0  0  0
    7.4497   -1.0524    5.8403 C   0  0  0  0  0
    6.2840   -1.1134    5.1763 C   0  0  0  0  0
    5.6552   -2.4701    5.0730 C   0  0  0  0  0
    4.6056   -2.6826    4.4745 O   0  0  0  0  0
    6.3181   -3.4996    5.6862 N   0  0  0  0  0
    7.5055   -3.3987    6.3475 C   0  0  0  0  0
    8.0568   -4.3659    6.8590 O   0  0  0  0  0
    8.0374   -2.1469    6.3976 N   0  0  0  0  0
    3.8133    0.6225   -1.6666 H   0  0  0  0  0
    4.5694    1.3162   -0.2272 H   0  0  0  0  0
    2.8280    1.5201   -0.5036 H   0  0  0  0  0
    2.1312   -1.2758   -1.4948 H   0  0  0  0  0
    1.8170   -2.0556    0.1114 H   0  0  0  0  0
    4.2669   -2.5008    0.3796 H   0  0  0  0  0
    4.5921   -1.7170   -1.2240 H   0  0  0  0  0
    2.6286   -1.0603    2.1032 H   0  0  0  0  0
    2.6818    0.6780    1.8621 H   0  0  0  0  0
    5.2405    0.5296    1.9188 H   0  0  0  0  0
    5.0872   -1.1792    2.2856 H   0  0  0  0  0
    3.6756   -0.5055    4.3614 H   0  0  0  0  0
    3.9794    1.1476    3.9407 H   0  0  0  0  0
    6.0553    2.2153    4.4313 H   0  0  0  0  0
    5.9043   -4.4175    5.6250 H   0  0  0  0  0
    8.9190   -2.0432    6.8857 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  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
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 17 35  1  0  0  0
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 18 19  2  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
SCH-900271

>  <PubChem CID>
56950369

>  <Formula>
C14H16N2O4

>  <Molecular Weight>
276.292000

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

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3

>  <Isomeric SMILES>
CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3

>  <InChI Std. ID>
InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)

>  <InChI Key>
ARJKMWXLIHZLQZ-UHFFFAOYSA-N

