
 CHEMBL3228820

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.6934    0.1865   -0.0596 C   0  0  0  0  0
    2.1920    0.0631   -0.0209 C   0  0  0  0  0
    2.9646    1.2296   -0.0082 C   0  0  0  0  0
    4.3474    1.1293    0.0270 C   0  0  0  0  0
    4.9859   -0.0605    0.0498 N   0  0  0  0  0
    4.2497   -1.2002    0.0391 C   0  0  0  0  0
    2.8494   -1.1819    0.0009 C   0  0  0  0  0
    2.1224   -2.4461   -0.0133 C   0  0  0  0  0
    2.7849   -3.6044   -0.0312 C   0  0  0  0  0
    4.2766   -3.6718   -0.0309 C   0  0  0  0  0
    5.0148   -5.1899   -0.1303 S   0  0  0  0  0
    4.9518   -2.4505    0.0567 N   0  0  0  0  0
    6.4305   -2.3497    0.1131 C   0  0  0  0  0
    7.0607   -2.1346   -1.2798 C   0  0  0  0  0
    8.5407   -2.1520   -1.2816 N   0  0  0  0  0
    9.0353   -2.1594   -2.6610 C   0  0  0  0  0
    9.0961   -1.0026   -0.5641 C   0  0  0  0  0
    5.2120    2.3532    0.0346 C   0  0  0  0  0
    0.3755    1.2346   -0.0754 H   0  0  0  0  0
    0.2496   -0.2756    0.8280 H   0  0  0  0  0
    0.2948   -0.2888   -0.9617 H   0  0  0  0  0
    2.4907    2.2069   -0.0261 H   0  0  0  0  0
    1.0392   -2.4465   -0.0128 H   0  0  0  0  0
    2.2391   -4.5433   -0.0483 H   0  0  0  0  0
    6.8444   -3.2592    0.5606 H   0  0  0  0  0
    6.7030   -1.5490    0.8103 H   0  0  0  0  0
    6.6909   -1.2017   -1.7248 H   0  0  0  0  0
    6.7024   -2.9430   -1.9300 H   0  0  0  0  0
    8.6681   -3.0405   -3.1987 H   0  0  0  0  0
   10.1293   -2.2192   -2.6771 H   0  0  0  0  0
    8.7302   -1.2640   -3.2145 H   0  0  0  0  0
    8.8367   -1.0347    0.4982 H   0  0  0  0  0
    8.7510   -0.0488   -0.9795 H   0  0  0  0  0
   10.1910   -1.0180   -0.6058 H   0  0  0  0  0
    4.6174    3.2720    0.0348 H   0  0  0  0  0
    5.8522    2.3606   -0.8532 H   0  0  0  0  0
    5.8442    2.3563    0.9282 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228820

>  <PubChem CID>
23335401

>  <Formula>
C14H19N3S

>  <Molecular Weight>
261.387000

>  <IUPAC Name>
1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=S)N2CCN(C)C)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=S)N2CCN(C)C)C

>  <InChI Std. ID>
InChI=1S/C14H19N3S/c1-10-9-11(2)15-14-12(10)5-6-13(18)17(14)8-7-16(3)4/h5-6,9H,7-8H2,1-4H3

>  <InChI Key>
UNJHMGABGRYFFE-UHFFFAOYSA-N

