
 CHEMBL1951889

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.0928    2.8402   -1.0184 C   0  0  0  0  0
    2.4788    2.2588   -0.7878 C   0  0  0  0  0
    3.4349    3.3464   -0.6120 N   0  0  0  0  0
    4.7647    2.9500   -0.4145 C   0  0  0  0  0
    5.7900    3.8758   -0.1090 C   0  0  0  0  0
    5.8690    5.3073   -0.0090 C   0  0  0  0  0
    7.1203    5.7599    0.3462 C   0  0  0  0  0
    7.4951    7.1600    0.5094 C   0  0  0  0  0
    8.6443    7.4914    0.7975 O   0  0  0  0  0
    6.4248    8.0842    0.2560 N   0  0  0  0  0
    5.1603    7.6043   -0.1221 C   0  0  0  0  0
    4.8739    6.2977   -0.2494 C   0  0  0  0  0
    6.6715    9.5058    0.3496 C   0  0  0  0  0
    5.9992   10.4085   -0.4919 C   0  0  0  0  0
    6.2398   11.7866   -0.4220 C   0  0  0  0  0
    7.1433   12.3029    0.5087 C   0  0  0  0  0
    7.8162   11.4172    1.3521 C   0  0  0  0  0
    7.5795   10.0391    1.2749 C   0  0  0  0  0
    7.4426   13.7716    0.5504 C   0  0  0  0  0
    8.2281    4.4879    0.5373 S   0  0  0  0  0
    7.0456    3.3281    0.1296 C   0  0  0  0  0
    7.3824    2.0300    0.0719 N   0  0  0  0  0
    6.3538    1.2571   -0.2706 C   0  0  0  0  0
    5.0915    1.6396   -0.5089 N   0  0  0  0  0
    0.3676    2.0390   -1.1914 H   0  0  0  0  0
    1.0850    3.5047   -1.8890 H   0  0  0  0  0
    0.7615    3.4205   -0.1508 H   0  0  0  0  0
    2.7478    1.6472   -1.6574 H   0  0  0  0  0
    2.4544    1.6155    0.0999 H   0  0  0  0  0
    3.1641    4.0063    0.1098 H   0  0  0  0  0
    4.3763    8.3371   -0.2853 H   0  0  0  0  0
    3.8751    6.0044   -0.5560 H   0  0  0  0  0
    5.3192   10.0588   -1.2636 H   0  0  0  0  0
    5.7260   12.4511   -1.1133 H   0  0  0  0  0
    8.5364   11.7876    2.0787 H   0  0  0  0  0
    8.1103    9.4014    1.9775 H   0  0  0  0  0
    7.7456   14.0813    1.5560 H   0  0  0  0  0
    6.5577   14.3580    0.2821 H   0  0  0  0  0
    8.2500   14.0080   -0.1497 H   0  0  0  0  0
    6.5576    0.1947   -0.3607 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4 24  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6 12  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1951889

>  <PubChem CID>
16118942

>  <Formula>
C18H16N4OS

>  <Molecular Weight>
336.413000

>  <IUPAC Name>
4-(ethylamino)-7-(4-methylphenyl)pyrido[4,5]thieno[1,2-c]pyrimidin-8-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCNC1=C2C3=C(C(=O)N(C=C3)C4=CC=C(C=C4)C)SC2=NC=N1

>  <Isomeric SMILES>
CCNC1=C2C3=C(C(=O)N(C=C3)C4=CC=C(C=C4)C)SC2=NC=N1

>  <InChI Std. ID>
InChI=1S/C18H16N4OS/c1-3-19-16-14-13-8-9-22(12-6-4-11(2)5-7-12)18(23)15(13)24-17(14)21-10-20-16/h4-10H,3H2,1-2H3,(H,19,20,21)

>  <InChI Key>
CNFAEBPKUNACJT-UHFFFAOYSA-N

