
 AC1OJ1IV

 47 48  0  0  0  0  0  0  0  0999 V2000
    1.3452    0.8737   -1.7339 C   0  0  0  0  0
    2.7715    0.7799   -1.2817 C   0  0  0  0  0
    3.6914    1.7716   -1.6063 C   0  0  0  0  0
    5.0269    1.6997   -1.1647 C   0  0  0  0  0
    5.4827    0.5851   -0.4039 C   0  0  0  0  0
    4.5124   -0.3533    0.0235 C   0  0  0  0  0
    3.1845   -0.2585   -0.4492 C   0  0  0  0  0
    4.7867   -1.4711    0.9935 C   0  0  0  0  0
    6.8454    0.5580   -0.0123 N   0  0  0  0  0
    7.5338   -0.7365    0.0415 C   0  0  0  0  0
    9.0281   -0.5661   -0.1630 C   0  0  0  0  0
    9.4945   -0.7934   -1.4192 N   0  0  0  0  0
   10.8345   -0.6372   -1.6083 C   0  0  0  0  0
   11.7144   -0.2325   -0.5962 C   0  0  0  0  0
   11.2287   -0.0145    0.6491 N   0  0  0  0  0
    9.8906   -0.1693    0.8619 C   0  0  0  0  0
    9.4105    0.1229    2.2519 C   0  0  0  0  0
   13.0911   -0.0619   -0.8377 N   0  0  0  0  0
   13.8695    0.3342    0.3260 C   0  0  0  0  0
   15.3032    0.6054   -0.0482 C   0  0  0  0  0
   15.8342    0.8654   -1.2525 C   0  0  0  0  0
   11.2946   -0.9150   -2.9393 C   0  0  0  0  0
   11.6716   -1.1164   -4.0191 N   0  0  0  0  0
    5.9401    2.8385   -1.5502 C   0  0  0  0  0
    0.9317   -0.1228   -1.9226 H   0  0  0  0  0
    1.2645    1.4398   -2.6678 H   0  0  0  0  0
    0.7407    1.3698   -0.9682 H   0  0  0  0  0
    3.3674    2.6182   -2.2093 H   0  0  0  0  0
    2.4518   -1.0041   -0.1425 H   0  0  0  0  0
    3.8575   -1.9098    1.3750 H   0  0  0  0  0
    5.3265   -1.0967    1.8685 H   0  0  0  0  0
    5.3442   -2.2772    0.5087 H   0  0  0  0  0
    7.3717    1.1733   -0.6299 H   0  0  0  0  0
    7.1654   -1.4060   -0.7459 H   0  0  0  0  0
    7.3748   -1.2260    1.0056 H   0  0  0  0  0
    8.6846    0.9411    2.2447 H   0  0  0  0  0
   10.2462    0.4261    2.8922 H   0  0  0  0  0
    8.9579   -0.7672    2.6985 H   0  0  0  0  0
   13.2215    0.5821   -1.6119 H   0  0  0  0  0
   13.8614   -0.4771    1.0646 H   0  0  0  0  0
   13.4675    1.2400    0.7958 H   0  0  0  0  0
   15.9858    0.5868    0.8009 H   0  0  0  0  0
   15.2492    0.9108   -2.1634 H   0  0  0  0  0
   16.9011    1.0456   -1.3524 H   0  0  0  0  0
    6.6865    2.4991   -2.2750 H   0  0  0  0  0
    6.4391    3.2448   -0.6643 H   0  0  0  0  0
    5.3848    3.6653   -2.0072 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  3  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
M  END

>  <Chemical Name>
AC1OJ1IV

>  <PubChem CID>
7312626

>  <Formula>
C19H23N5

>  <Molecular Weight>
321.428000

>  <IUPAC Name>
5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylanilino)methyl]pyrazine-2-carbonitrile

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C(=C1)C)NCC2=NC(=C(N=C2C)NCC=C)C#N)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1)C)NCC2=NC(=C(N=C2C)NCC=C)C#N)C

>  <InChI Std. ID>
InChI=1S/C19H23N5/c1-6-7-21-19-16(10-20)24-17(15(5)23-19)11-22-18-13(3)8-12(2)9-14(18)4/h6,8-9,22H,1,7,11H2,2-5H3,(H,21,23)

>  <InChI Key>
AANRDBZIXJEKER-UHFFFAOYSA-N

