
 terazosin

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.5372   -0.3833    2.5075 C   0  0  0  0  0
    3.6724   -0.2498    1.6590 O   0  0  0  0  0
    3.9628    1.0067    1.2030 C   0  0  0  0  0
    4.7375    1.1395    0.0445 C   0  0  0  0  0
    5.1169    2.4187   -0.3964 C   0  0  0  0  0
    4.7268    3.5817    0.2564 C   0  0  0  0  0
    3.9493    3.4498    1.4020 C   0  0  0  0  0
    3.5765    2.1672    1.8770 C   0  0  0  0  0
    3.5896    4.6540    2.0019 C   0  0  0  0  0
    3.9137    5.8487    1.4998 N   0  0  0  0  0
    4.6741    5.8859    0.3964 C   0  0  0  0  0
    5.1019    4.7755   -0.2246 N   0  0  0  0  0
    5.0145    7.1276   -0.1504 N   0  0  0  0  0
    6.4508    7.2193   -0.4932 C   0  0  0  0  0
    6.7594    8.5728   -1.1757 C   0  0  0  0  0
    6.2458    9.6941   -0.3766 N   0  0  0  0  0
    4.8069    9.5927   -0.1229 C   0  0  0  0  0
    4.4811    8.2788    0.6076 C   0  0  0  0  0
    7.0131   10.5010    0.4563 C   0  0  0  0  0
    6.4893   11.2089    1.3213 O   0  0  0  0  0
    8.5343   10.5567    0.2003 C   0  0  0  0  0
    9.2376   11.5768    1.0878 C   0  0  0  0  0
   10.6651   11.1007    1.0326 C   0  0  0  0  0
   10.4883    9.5985    1.0431 C   0  0  0  0  0
    9.2238    9.3171    0.4237 O   0  0  0  0  0
    2.8442    4.6969    3.1887 N   0  0  0  0  0
    5.2258    0.1257   -0.7403 O   0  0  0  0  0
    4.4277   -1.0490   -0.8339 C   0  0  0  0  0
    2.3095   -1.4502    2.5933 H   0  0  0  0  0
    1.6576    0.1118    2.0815 H   0  0  0  0  0
    2.7546   -0.0088    3.5125 H   0  0  0  0  0
    5.7256    2.5062   -1.2942 H   0  0  0  0  0
    2.9833    2.1107    2.7843 H   0  0  0  0  0
    6.7479    6.4202   -1.1828 H   0  0  0  0  0
    7.0537    7.1284    0.4199 H   0  0  0  0  0
    7.8268    8.6649   -1.3760 H   0  0  0  0  0
    6.2489    8.6171   -2.1458 H   0  0  0  0  0
    4.4427   10.4454    0.4587 H   0  0  0  0  0
    4.3025    9.6198   -1.0965 H   0  0  0  0  0
    4.9188    8.3065    1.6141 H   0  0  0  0  0
    3.3901    8.2086    0.6997 H   0  0  0  0  0
    8.6830   10.8330   -0.8516 H   0  0  0  0  0
    8.8758   11.5228    2.1223 H   0  0  0  0  0
    9.1081   12.6050    0.7383 H   0  0  0  0  0
   11.1265   11.4198    0.0907 H   0  0  0  0  0
   11.2847   11.4649    1.8565 H   0  0  0  0  0
   11.2848    9.0838    0.4984 H   0  0  0  0  0
   10.4552    9.2081    2.0653 H   0  0  0  0  0
    2.7413    5.6824    3.4235 H   0  0  0  0  0
    3.3270    4.2007    3.9301 H   0  0  0  0  0
    4.7062   -1.5655   -1.7580 H   0  0  0  0  0
    3.3576   -0.8211   -0.8969 H   0  0  0  0  0
    4.6452   -1.7297   -0.0056 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 25  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
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 24 25  1  0  0  0
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 28 52  1  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
terazosin

>  <PubChem CID>
5401

>  <Formula>
C19H25N5O4

>  <Molecular Weight>
387.440000

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

>  <XlogP>
1.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC

>  <InChI Std. ID>
InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)

>  <InChI Key>
VCKUSRYTPJJLNI-UHFFFAOYSA-N

