
 VU0402473-1

 39 41  0  0  0  0  0  0  0  0999 V2000
   -0.0454   -1.1051    0.5592 C   0  0  0  0  0
    1.4351   -1.3641    0.5560 C   0  0  0  0  0
    1.8874   -2.6903    0.6723 C   0  0  0  0  0
    3.2477   -2.9719    0.6682 C   0  0  0  0  0
    4.2043   -2.0345    0.5631 N   0  0  0  0  0
    3.7517   -0.7704    0.4506 C   0  0  0  0  0
    2.4249   -0.3470    0.4358 C   0  0  0  0  0
    2.3773    1.0897    0.2884 C   0  0  0  0  0
    3.6285    1.6787    0.1974 C   0  0  0  0  0
    4.8663    0.5011    0.3037 S   0  0  0  0  0
    3.9473    3.0940    0.0292 C   0  0  0  0  0
    3.0925    3.9799   -0.0035 O   0  0  0  0  0
    5.2859    3.3932   -0.1038 N   0  0  0  0  0
    5.7719    4.7463   -0.2109 C   0  0  0  0  0
    7.1228    4.7650   -0.8767 C   0  0  0  0  0
    7.1777    4.8160   -2.2820 C   0  0  0  0  0
    8.4004    4.7919   -2.9547 C   0  0  0  0  0
    9.5886    4.7096   -2.2349 C   0  0  0  0  0
    9.5531    4.6453   -0.8424 C   0  0  0  0  0
    8.3288    4.6666   -0.1659 C   0  0  0  0  0
    8.3663    4.5400    1.5564 Cl  0  0  0  0  0
    1.2385    1.8160    0.2289 N   0  0  0  0  0
    3.7105   -4.3951    0.7904 C   0  0  0  0  0
   -0.6194   -2.0316    0.6665 H   0  0  0  0  0
   -0.3478   -0.6364   -0.3822 H   0  0  0  0  0
   -0.3121   -0.4544    1.3976 H   0  0  0  0  0
    1.1737   -3.5054    0.7635 H   0  0  0  0  0
    5.9541    2.6485    0.0506 H   0  0  0  0  0
    5.7963    5.1853    0.7915 H   0  0  0  0  0
    5.0587    5.3490   -0.7863 H   0  0  0  0  0
    6.2569    4.8656   -2.8620 H   0  0  0  0  0
    8.4231    4.8306   -4.0413 H   0  0  0  0  0
   10.5419    4.6869   -2.7571 H   0  0  0  0  0
   10.4856    4.5696   -0.2883 H   0  0  0  0  0
    0.3071    1.4429    0.3585 H   0  0  0  0  0
    1.2728    2.8371    0.1627 H   0  0  0  0  0
    3.4001   -4.8114    1.7537 H   0  0  0  0  0
    4.8019   -4.4571    0.7272 H   0  0  0  0  0
    3.2894   -5.0011   -0.0179 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 22 35  1  0  0  0
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 23 37  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
M  END

>  <Chemical Name>
VU0402473-1

>  <PubChem CID>
1502242

>  <Formula>
C17H16ClN3OS

>  <Molecular Weight>
345.845000

>  <IUPAC Name>
3-amino-N-[(2-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=CC=C3Cl)N)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=CC=C3Cl)N)C

>  <InChI Std. ID>
InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)

>  <InChI Key>
GNKACMYKPCYTCX-UHFFFAOYSA-N

