
 CHEMBL1914767

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.2866    1.4411   -0.6538 C   0  0  0  0  0
   -0.8196    1.1156    0.3805 C   0  0  0  0  0
   -1.4221   -0.2098    0.1180 N   0  0  0  0  0
   -0.3990   -1.2717    0.0396 C   0  0  0  0  0
    0.6954   -0.9117   -0.9944 C   0  0  0  0  0
    1.3365    0.3979   -0.7376 N   0  0  0  0  0
   -2.4186   -0.2119   -0.8719 C   0  0  0  0  0
   -2.8717    0.9729   -1.3805 N   0  0  0  0  0
   -3.8259    1.0049   -2.3250 C   0  0  0  0  0
   -4.4665   -0.0423   -2.8437 N   0  0  0  0  0
   -4.0602   -1.2271   -2.3402 C   0  0  0  0  0
   -3.0696   -1.3417   -1.3778 C   0  0  0  0  0
   -2.8926   -2.6556   -1.0480 O   0  0  0  0  0
   -3.7563   -3.3793   -1.8129 C   0  0  0  0  0
   -3.8856   -4.7662   -1.7885 C   0  0  0  0  0
   -4.8337   -5.3206   -2.6553 C   0  0  0  0  0
   -5.6056   -4.5136   -3.4958 C   0  0  0  0  0
   -5.4538   -3.1200   -3.4967 C   0  0  0  0  0
   -4.5040   -2.5429   -2.6337 C   0  0  0  0  0
   -4.2149    2.2561   -2.7639 N   0  0  0  0  0
   -0.1487    1.5847   -1.6496 H   0  0  0  0  0
    0.7642    2.3883   -0.3806 H   0  0  0  0  0
   -1.5659    1.9181    0.4232 H   0  0  0  0  0
   -0.3666    1.0869    1.3807 H   0  0  0  0  0
    0.0697   -1.3597    1.0289 H   0  0  0  0  0
   -0.8072   -2.2615   -0.1718 H   0  0  0  0  0
    1.4721   -1.6843   -0.9775 H   0  0  0  0  0
    0.2734   -0.9108   -2.0068 H   0  0  0  0  0
    1.8006    0.3487    0.1695 H   0  0  0  0  0
   -3.2813   -5.3788   -1.1304 H   0  0  0  0  0
   -4.9722   -6.3999   -2.6742 H   0  0  0  0  0
   -6.3359   -4.9716   -4.1599 H   0  0  0  0  0
   -6.0551   -2.4952   -4.1511 H   0  0  0  0  0
   -4.0145    2.9399   -2.0473 H   0  0  0  0  0
   -5.1639    2.2156   -3.1089 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1914767

>  <PubChem CID>
44628629

>  <Formula>
C14H15N5O

>  <Molecular Weight>
269.308000

>  <IUPAC Name>
4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1)C2=NC(=NC3=C2OC4=CC=CC=C43)N

>  <Isomeric SMILES>
C1CN(CCN1)C2=NC(=NC3=C2OC4=CC=CC=C43)N

>  <InChI Std. ID>
InChI=1S/C14H15N5O/c15-14-17-11-9-3-1-2-4-10(9)20-12(11)13(18-14)19-7-5-16-6-8-19/h1-4,16H,5-8H2,(H2,15,17,18)

>  <InChI Key>
BENLJIXZYVNONE-UHFFFAOYSA-N

