
 ethyl 1-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]piperidine-4-carboxylate

 46 49  0  0  0  0  0  0  0  0999 V2000
    2.6234   -0.5068    2.0342 C   0  0  0  0  0
    2.6728   -0.4919    0.5180 C   0  0  0  0  0
    2.7994    0.8550    0.0371 O   0  0  0  0  0
    4.0711    1.3333   -0.0518 C   0  0  0  0  0
    5.0817    0.7170    0.2565 O   0  0  0  0  0
    4.0619    2.7491   -0.5878 C   0  0  0  0  0
    4.8981    2.8255   -1.8672 C   0  0  0  0  0
    4.9933    4.2617   -2.3694 C   0  0  0  0  0
    5.4981    5.1576   -1.3267 N   0  0  0  0  0
    4.7471    5.1209   -0.0713 C   0  0  0  0  0
    4.6079    3.7043    0.4731 C   0  0  0  0  0
    6.1781    6.3601   -1.6119 C   0  0  0  0  0
    6.1197    7.3025   -0.8189 O   0  0  0  0  0
    6.9613    6.4509   -2.8380 C   0  0  0  0  0
    7.7859    5.5245   -3.4519 C   0  0  0  0  0
    8.3743    6.0369   -4.6486 C   0  0  0  0  0
    8.0341    7.3467   -4.8793 C   0  0  0  0  0
    6.9861    7.9489   -3.6808 S   0  0  0  0  0
    8.4478    8.1183   -5.9107 N   0  0  0  0  0
    9.2413    7.5251   -6.7550 C   0  0  0  0  0
    9.7469    8.3116   -7.9167 C   0  0  0  0  0
   10.5499    7.7375   -8.8196 C   0  0  0  0  0
   10.9350    6.3594   -8.6800 C   0  0  0  0  0
   10.4993    5.6437   -7.6361 C   0  0  0  0  0
    9.6653    6.1893   -6.6634 N   0  0  0  0  0
    9.2495    5.3746   -5.5962 C   0  0  0  0  0
    9.5664    4.1952   -5.4510 O   0  0  0  0  0
    2.4772   -1.5247    2.4069 H   0  0  0  0  0
    1.8055    0.1234    2.3983 H   0  0  0  0  0
    3.5482   -0.1074    2.4624 H   0  0  0  0  0
    1.7350   -0.8882    0.1153 H   0  0  0  0  0
    3.4800   -1.1279    0.1366 H   0  0  0  0  0
    3.0287    3.0350   -0.8260 H   0  0  0  0  0
    4.4598    2.1861   -2.6427 H   0  0  0  0  0
    5.9095    2.4417   -1.6785 H   0  0  0  0  0
    5.6011    4.2888   -3.2730 H   0  0  0  0  0
    4.0011    4.6310   -2.6584 H   0  0  0  0  0
    5.2346    5.7434    0.6868 H   0  0  0  0  0
    3.7598    5.5581   -0.2663 H   0  0  0  0  0
    5.5903    3.3566    0.8188 H   0  0  0  0  0
    3.9526    3.7079    1.3525 H   0  0  0  0  0
    7.9592    4.5239   -3.0714 H   0  0  0  0  0
    9.4363    9.3472   -7.9862 H   0  0  0  0  0
   10.9257    8.2986   -9.6694 H   0  0  0  0  0
   11.5827    5.9199   -9.4321 H   0  0  0  0  0
   10.7843    4.6013   -7.5153 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 26  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 19 20  2  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
M  END

>  <Chemical Name>
ethyl 1-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]piperidine-4-carboxylate

>  <PubChem CID>
1253448

>  <Formula>
C19H19N3O4S

>  <Molecular Weight>
385.438000

>  <IUPAC Name>


>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O

>  <Isomeric SMILES>
CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O

>  <InChI Std. ID>
InChI=1S/C19H19N3O4S/c1-2-26-19(25)12-6-9-21(10-7-12)18(24)14-11-13-16(27-14)20-15-5-3-4-8-22(15)17(13)23/h3-5,8,11-12H,2,6-7,9-10H2,1H3

>  <InChI Key>
CCLUIZVVCMQXLS-UHFFFAOYSA-N

