
 CHEMBL1951883

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.5428   -0.6582   -0.8784 C   0  0  0  0  0
    0.7510    0.7009   -1.3851 N   0  0  0  0  0
    1.0022    0.7430   -2.8298 C   0  0  0  0  0
    1.8256    1.3371   -0.7217 C   0  0  0  0  0
    1.8083    2.7182   -0.4166 C   0  0  0  0  0
    0.8420    3.7661   -0.5587 C   0  0  0  0  0
    1.2891    4.9915   -0.1157 C   0  0  0  0  0
    0.5032    6.2212   -0.1174 C   0  0  0  0  0
    0.9561    7.2848    0.3035 O   0  0  0  0  0
   -0.8382    6.0511   -0.6017 N   0  0  0  0  0
   -1.2708    4.7940   -1.0537 C   0  0  0  0  0
   -0.4897    3.7026   -1.0528 C   0  0  0  0  0
   -1.7536    7.1662   -0.5969 C   0  0  0  0  0
   -3.1180    6.9580   -0.3385 C   0  0  0  0  0
   -4.0280    8.0195   -0.3563 C   0  0  0  0  0
   -3.6010    9.3087   -0.6630 C   0  0  0  0  0
   -2.2506    9.5392   -0.8997 C   0  0  0  0  0
   -1.3327    8.4770   -0.8626 C   0  0  0  0  0
   -4.5838   10.2598   -0.6699 O   0  0  0  0  0
   -4.3397   11.3843   -1.5072 C   0  0  0  0  0
    2.8742    4.9029    0.4893 S   0  0  0  0  0
    2.9544    3.2239    0.1823 C   0  0  0  0  0
    4.0566    2.5335    0.5171 N   0  0  0  0  0
    3.9513    1.2385    0.2170 C   0  0  0  0  0
    2.9207    0.6167   -0.3748 N   0  0  0  0  0
    0.4060   -0.6559    0.2095 H   0  0  0  0  0
    1.3667   -1.3337   -1.1372 H   0  0  0  0  0
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    0.1930    0.2316   -3.3632 H   0  0  0  0  0
    1.9456    0.2517   -3.0988 H   0  0  0  0  0
    1.0243    1.7752   -3.1977 H   0  0  0  0  0
   -2.2770    4.7258   -1.4563 H   0  0  0  0  0
   -0.8828    2.7606   -1.4243 H   0  0  0  0  0
   -3.4972    5.9757   -0.0697 H   0  0  0  0  0
   -5.0764    7.8367   -0.1339 H   0  0  0  0  0
   -1.8703   10.5355   -1.1054 H   0  0  0  0  0
   -0.2922    8.7004   -1.0807 H   0  0  0  0  0
   -5.2754   11.9458   -1.5903 H   0  0  0  0  0
   -4.0462   11.0751   -2.5164 H   0  0  0  0  0
   -3.5902   12.0481   -1.0649 H   0  0  0  0  0
    4.7998    0.6140    0.4778 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4 25  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6 12  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
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 24 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1951883

>  <PubChem CID>
16118815

>  <Formula>
C18H16N4O2S

>  <Molecular Weight>
352.412000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C1=C2C3=C(C(=O)N(C=C3)C4=CC=C(C=C4)OC)SC2=NC=N1

>  <Isomeric SMILES>
CN(C)C1=C2C3=C(C(=O)N(C=C3)C4=CC=C(C=C4)OC)SC2=NC=N1

>  <InChI Std. ID>
InChI=1S/C18H16N4O2S/c1-21(2)16-14-13-8-9-22(11-4-6-12(24-3)7-5-11)18(23)15(13)25-17(14)20-10-19-16/h4-10H,1-3H3

>  <InChI Key>
CNBBALBKWKNMJK-UHFFFAOYSA-N

