
 ZINC3786169

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.5066   -0.6321   -1.7563 C   0  0  0  0  0
    4.6139   -0.4511   -0.7347 C   0  0  0  0  0
    5.1071    0.8974   -0.7615 O   0  0  0  0  0
    4.4027    1.8051   -0.0295 C   0  0  0  0  0
    3.4021    1.5461    0.6265 O   0  0  0  0  0
    5.0610    3.1610   -0.0862 C   0  0  0  0  0
    4.2330    4.1660    0.7036 C   0  0  0  0  0
    4.8440    5.4715    0.5650 N   0  0  0  0  0
    5.4320    5.8109   -0.6160 C   0  0  0  0  0
    5.6574    5.0511   -1.6240 N   0  0  0  0  0
    5.1868    3.6581   -1.5239 C   0  0  0  0  0
    3.1629   -1.6702   -1.7744 H   0  0  0  0  0
    3.8578   -0.3580   -2.7563 H   0  0  0  0  0
    2.6522    0.0137   -1.5309 H   0  0  0  0  0
    5.4561   -1.1042   -0.9862 H   0  0  0  0  0
    4.2817   -0.7285    0.2724 H   0  0  0  0  0
    6.0550    3.0757    0.3727 H   0  0  0  0  0
    4.1958    3.8935    1.7640 H   0  0  0  0  0
    3.1987    4.2093    0.3404 H   0  0  0  0  0
    4.4594    6.2178    1.1337 H   0  0  0  0  0
    5.7428    6.8691   -0.6465 H   0  0  0  0  0
    4.2305    3.5727   -2.0542 H   0  0  0  0  0
    5.8983    3.0272   -2.0695 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
M  END

>  <Chemical Name>
ZINC3786169

>  <PubChem CID>
92209180

>  <Formula>
C7H12N2O2

>  <Molecular Weight>
156.185000

>  <IUPAC Name>
ethyl (5S)-1,4,5,6-tetrahydropyrimidine-5-carboxylate

>  <XlogP>
-0.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCOC(=O)C1CNC=NC1

>  <Isomeric SMILES>
CCOC(=O)[C@H]1CNC=NC1

>  <InChI Std. ID>
InChI=1S/C7H12N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h5-6H,2-4H2,1H3,(H,8,9)

>  <InChI Key>
USADHMZWJIGMJJ-UHFFFAOYSA-N

