
 Benzamil

 36 37  0  0  0  0  0  0  0  0999 V2000
   -0.8890    0.2933    1.3971 C   0  0  0  0  0
   -0.7548   -0.6223    0.3543 C   0  0  0  0  0
    0.4726   -0.7671   -0.2944 C   0  0  0  0  0
    1.5751    0.0094    0.0864 C   0  0  0  0  0
    1.4335    0.9144    1.1483 C   0  0  0  0  0
    0.2053    1.0584    1.7963 C   0  0  0  0  0
    2.9068   -0.1641   -0.6042 C   0  0  0  0  0
    3.6782   -1.2316    0.0196 N   0  0  0  0  0
    4.8215   -1.5245   -0.4716 C   0  0  0  0  0
    5.4601   -0.9492   -1.5196 N   0  0  0  0  0
    5.4458   -2.5499    0.1853 N   0  0  0  0  0
    6.7386   -3.0295    0.0252 C   0  0  0  0  0
    7.5332   -2.6108   -0.8142 O   0  0  0  0  0
    7.0915   -4.1256    0.9763 C   0  0  0  0  0
    8.4261   -4.5160    1.1831 C   0  0  0  0  0
    8.7267   -5.5293    2.0305 N   0  0  0  0  0
    7.6950   -6.1405    2.6545 C   0  0  0  0  0
    6.3702   -5.7354    2.4194 C   0  0  0  0  0
    6.0314   -4.7189    1.5969 N   0  0  0  0  0
    5.0283   -6.4821    3.1893 Cl  0  0  0  0  0
    8.0412   -7.2076    3.4848 N   0  0  0  0  0
    9.5266   -3.8386    0.6692 N   0  0  0  0  0
   -1.8429    0.4018    1.9051 H   0  0  0  0  0
   -1.6027   -1.2300    0.0513 H   0  0  0  0  0
    0.5725   -1.4971   -1.0943 H   0  0  0  0  0
    2.2846    1.5036    1.4799 H   0  0  0  0  0
    0.1056    1.7623    2.6175 H   0  0  0  0  0
    3.4537    0.7870   -0.5564 H   0  0  0  0  0
    2.7289   -0.3794   -1.6658 H   0  0  0  0  0
    5.2498    0.0161   -1.7263 H   0  0  0  0  0
    6.4500   -1.1835   -1.5982 H   0  0  0  0  0
    4.8830   -2.9676    0.9191 H   0  0  0  0  0
    7.5895   -7.1571    4.3922 H   0  0  0  0  0
    9.0548   -7.2463    3.5522 H   0  0  0  0  0
    9.4042   -3.5546   -0.3026 H   0  0  0  0  0
   10.3772   -4.3613    0.8498 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 22  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 21 33  1  0  0  0
 21 34  1  0  0  0
 22 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
Benzamil

>  <PubChem CID>
108107

>  <Formula>
C13H14ClN7O

>  <Molecular Weight>
319.753000

>  <IUPAC Name>
3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

>  <Isomeric SMILES>
C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

>  <InChI Std. ID>
InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)

>  <InChI Key>
KXDROGADUISDGY-UHFFFAOYSA-N

