
 prazosin

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.7376   -0.0848   -0.4176 C   0  0  0  0  0
    2.0928   -0.0324    0.0118 O   0  0  0  0  0
    2.6821    1.1939    0.1464 C   0  0  0  0  0
    4.0109    1.2522    0.5886 C   0  0  0  0  0
    4.6654    2.4941    0.6708 C   0  0  0  0  0
    4.0365    3.6940    0.3662 C   0  0  0  0  0
    2.7083    3.6398   -0.0426 C   0  0  0  0  0
    2.0406    2.3949   -0.1640 C   0  0  0  0  0
    2.1346    4.8765   -0.3199 C   0  0  0  0  0
    2.7976    6.0302   -0.2161 N   0  0  0  0  0
    4.0783    5.9963    0.1797 C   0  0  0  0  0
    4.7084    4.8495    0.4764 N   0  0  0  0  0
    4.7545    7.2104    0.3374 N   0  0  0  0  0
    4.1191    8.3274   -0.3811 C   0  0  0  0  0
    4.8073    9.6509   -0.0303 C   0  0  0  0  0
    6.2554    9.5882   -0.2561 N   0  0  0  0  0
    6.9048    8.4666    0.4314 C   0  0  0  0  0
    6.2144    7.1135    0.1572 C   0  0  0  0  0
    7.0238   10.7238   -0.5375 C   0  0  0  0  0
    8.1943   10.7991   -0.1614 O   0  0  0  0  0
    6.4107   11.8075   -1.2926 C   0  0  0  0  0
    6.6989   13.1603   -1.3145 C   0  0  0  0  0
    5.8263   13.7542   -2.2567 C   0  0  0  0  0
    5.0810   12.7279   -2.7842 C   0  0  0  0  0
    5.4346   11.5451   -2.2203 O   0  0  0  0  0
    0.8018    5.0011   -0.7375 N   0  0  0  0  0
    4.8201    0.1981    0.9310 O   0  0  0  0  0
    4.1873   -0.9642    1.4530 C   0  0  0  0  0
    0.4359   -1.1360   -0.4446 H   0  0  0  0  0
    0.6282    0.3182   -1.4302 H   0  0  0  0  0
    0.0793    0.4313    0.2891 H   0  0  0  0  0
    5.7040    2.5199    0.9943 H   0  0  0  0  0
    1.0180    2.4047   -0.5268 H   0  0  0  0  0
    3.0628    8.4312   -0.1057 H   0  0  0  0  0
    4.1817    8.1598   -1.4651 H   0  0  0  0  0
    4.3264   10.4650   -0.5708 H   0  0  0  0  0
    4.6686    9.8719    1.0361 H   0  0  0  0  0
    7.9578    8.4022    0.1364 H   0  0  0  0  0
    6.8780    8.6911    1.5060 H   0  0  0  0  0
    6.4373    6.8038   -0.8727 H   0  0  0  0  0
    6.6524    6.3736    0.8388 H   0  0  0  0  0
    7.4523   13.6487   -0.7081 H   0  0  0  0  0
    5.7589   14.7981   -2.5289 H   0  0  0  0  0
    4.3038   12.6747   -3.5344 H   0  0  0  0  0
    0.6305    5.9991   -0.8457 H   0  0  0  0  0
    0.1727    4.6012   -0.0494 H   0  0  0  0  0
    4.9454   -1.5356    1.9974 H   0  0  0  0  0
    3.8228   -1.6031    0.6432 H   0  0  0  0  0
    3.3915   -0.7172    2.1642 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 25  1  0  0  0
 24 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
 27 28  1  0  0  0
 28 47  1  0  0  0
 28 48  1  0  0  0
 28 49  1  0  0  0
M  END

>  <Chemical Name>
prazosin

>  <PubChem CID>
4893

>  <Formula>
C19H21N5O4

>  <Molecular Weight>
383.408000

>  <IUPAC Name>
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC

>  <InChI Std. ID>
InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)

>  <InChI Key>
IENZQIKPVFGBNW-UHFFFAOYSA-N

