
 784-90-7

 32 33  0  0  0  0  0  0  0  0999 V2000
    0.8581   -0.0701   -0.1118 C   0  0  0  0  0
    2.3511   -0.0351    0.0640 C   0  0  0  0  0
    3.1108   -1.2099    0.1578 C   0  0  0  0  0
    4.5046   -1.1106    0.3197 C   0  0  0  0  0
    5.1715    0.1076    0.3728 C   0  0  0  0  0
    4.4183    1.2814    0.2655 C   0  0  0  0  0
    3.0125    1.2000    0.1095 C   0  0  0  0  0
    5.1594    2.4690    0.3286 C   0  0  0  0  0
    6.4986    2.4848    0.4831 N   0  0  0  0  0
    7.1126    1.2999    0.5603 C   0  0  0  0  0
    6.5008    0.1035    0.5215 N   0  0  0  0  0
    8.4886    1.3602    0.7668 N   0  0  0  0  0
    9.2685    0.4017    0.4023 C   0  0  0  0  0
    8.9720   -0.7615   -0.2244 N   0  0  0  0  0
   10.6032    0.5260    0.5984 N   0  0  0  0  0
    4.5086    3.8186    0.2320 C   0  0  0  0  0
    2.4708   -2.5701    0.1164 C   0  0  0  0  0
    0.3944   -0.7032    0.6517 H   0  0  0  0  0
    0.6047   -0.4524   -1.1059 H   0  0  0  0  0
    0.4185    0.9285   -0.0127 H   0  0  0  0  0
    5.0979   -2.0195    0.4074 H   0  0  0  0  0
    2.4262    2.1132    0.0250 H   0  0  0  0  0
    7.9724   -0.9638   -0.1965 H   0  0  0  0  0
    9.5333   -1.5626    0.0182 H   0  0  0  0  0
   10.8162    1.3339    1.1742 H   0  0  0  0  0
   11.0930   -0.3030    0.8975 H   0  0  0  0  0
    5.2552    4.6173    0.3006 H   0  0  0  0  0
    3.7949    3.9589    1.0500 H   0  0  0  0  0
    3.9929    3.9270   -0.7275 H   0  0  0  0  0
    3.2217   -3.3661    0.0643 H   0  0  0  0  0
    1.8338   -2.6690   -0.7684 H   0  0  0  0  0
    1.8713   -2.7325    1.0179 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5 11  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 22  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 13  2  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
 15 25  1  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
784-90-7

>  <PubChem CID>
2853458

>  <Formula>
C12H15N5

>  <Molecular Weight>
229.287000

>  <IUPAC Name>
2-(4,6,7-trimethylquinazolin-2-yl)guanidine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=C2C(=C1)C(=NC(=N2)N=C(N)N)C)C

>  <Isomeric SMILES>
CC1=C(C=C2C(=C1)C(=NC(=N2)N=C(N)N)C)C

>  <InChI Std. ID>
InChI=1S/C12H15N5/c1-6-4-9-8(3)15-12(17-11(13)14)16-10(9)5-7(6)2/h4-5H,1-3H3,(H4,13,14,15,16,17)

>  <InChI Key>
JFQDHSRWWLJCBV-UHFFFAOYSA-N

