
 MLS000704511

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.2313    0.1967    0.0012 C   0  0  0  0  0
   -2.4948   -0.9869    0.0018 C   0  0  0  0  0
   -1.1076   -0.9102    0.0014 C   0  0  0  0  0
   -0.5100    0.3600    0.0009 C   0  0  0  0  0
    0.9412    0.4402    0.0004 C   0  0  0  0  0
    1.6512   -0.7460    0.0008 C   0  0  0  0  0
    1.0604   -2.0715    0.0015 C   0  0  0  0  0
    1.6751   -3.1362    0.0018 O   0  0  0  0  0
   -0.3260   -2.0829    0.0018 N   0  0  0  0  0
    3.3339   -0.4922    0.0003 S   0  0  0  0  0
    3.1320    1.2109   -0.0004 C   0  0  0  0  0
    1.8023    1.5761   -0.0003 C   0  0  0  0  0
   -1.2041    1.5206    0.0003 N   0  0  0  0  0
   -2.5509    1.4087    0.0005 C   0  0  0  0  0
   -4.3164    0.1774    0.0014 H   0  0  0  0  0
   -3.0083   -1.9431    0.0022 H   0  0  0  0  0
   -0.7589   -2.9961    0.0023 H   0  0  0  0  0
    3.9976    1.8594   -0.0009 H   0  0  0  0  0
    1.4606    2.6045   -0.0007 H   0  0  0  0  0
   -3.0921    2.3514   -0.0000 H   0  0  0  0  0
  1 14  1  0  0  0
  1  2  2  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  9  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 18  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 14 20  1  0  0  0
M  END

>  <Chemical Name>
MLS000704511

>  <PubChem CID>
1211814

>  <Formula>
C10H6N2OS

>  <Molecular Weight>
202.231000

>  <IUPAC Name>
5H-thieno[2,3-c][1,5]naphthyridin-6-one

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC2=C(C3=C(C(=O)N2)SC=C3)N=C1

>  <Isomeric SMILES>
C1=CC2=C(C3=C(C(=O)N2)SC=C3)N=C1

>  <InChI Std. ID>
InChI=1S/C10H6N2OS/c13-10-9-6(3-5-14-9)8-7(12-10)2-1-4-11-8/h1-5H,(H,12,13)

>  <InChI Key>
DFGAHPGOXCAQBB-UHFFFAOYSA-N

