
 SMR000010338

 33 34  0  0  0  0  0  0  0  0999 V2000
   -0.9172    0.0168    1.9901 C   0  0  0  0  0
   -0.5247   -1.1509    1.3303 C   0  0  0  0  0
    0.6679   -1.1772    0.6007 C   0  0  0  0  0
    1.4773   -0.0304    0.5271 C   0  0  0  0  0
    1.0745    1.1412    1.1912 C   0  0  0  0  0
   -0.1185    1.1616    1.9199 C   0  0  0  0  0
    2.7606   -0.0582   -0.2650 C   0  0  0  0  0
    3.6913   -1.0374    0.2680 N   0  0  0  0  0
    4.9698   -1.2329   -0.3414 C   0  0  0  0  0
    5.2993   -0.4824   -1.4302 N   0  0  0  0  0
    6.4940   -0.6106   -2.0583 C   0  0  0  0  0
    7.4071   -1.5054   -1.6103 N   0  0  0  0  0
    7.1502   -2.2881   -0.5321 C   0  0  0  0  0
    8.1176   -3.2011   -0.0989 C   0  0  0  0  0
    7.8701   -4.0137    1.0071 C   0  0  0  0  0
    6.6551   -3.9195    1.6866 C   0  0  0  0  0
    5.6774   -3.0118    1.2666 C   0  0  0  0  0
    5.9111   -2.1796    0.1472 C   0  0  0  0  0
    1.9212   -1.5193    4.2746 Cl  0  0  0  0  0
   -1.8402    0.0353    2.5546 H   0  0  0  0  0
   -1.1444   -2.0366    1.3851 H   0  0  0  0  0
    0.9628   -2.0869    0.0924 H   0  0  0  0  0
    1.6831    2.0356    1.1447 H   0  0  0  0  0
   -0.4244    2.0658    2.4304 H   0  0  0  0  0
    3.2461    0.9422   -0.2465 H   0  0  0  0  0
    2.5197   -0.3091   -1.3209 H   0  0  0  0  0
    3.4127   -1.5790    1.0947 H   0  0  0  0  0
    6.7188    0.0032   -2.9190 H   0  0  0  0  0
    9.0637   -3.2809   -0.6205 H   0  0  0  0  0
    8.6214   -4.7187    1.3387 H   0  0  0  0  0
    6.4690   -4.5533    2.5439 H   0  0  0  0  0
    4.7583   -2.9808    1.8270 H   0  0  0  0  0
    1.1009   -2.3515    3.5495 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  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
 19 33  1  0  0  0
M  END

>  <Chemical Name>
SMR000010338

>  <PubChem CID>
6603129

>  <Formula>
C15H14ClN3

>  <Molecular Weight>
271.748000

>  <IUPAC Name>
N-benzylquinazolin-4-amine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32.Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32.Cl

>  <InChI Std. ID>
InChI=1S/C15H13N3.ClH/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15;/h1-9,11H,10H2,(H,16,17,18);1H

>  <InChI Key>
DIKWZEPKULLMFX-UHFFFAOYSA-N

