
 urapidil

 57 59  0  0  0  0  0  0  0  0999 V2000
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   -9.4871    4.0774    1.3201 O   0  0  0  0  0
   -9.8009    1.7791    2.7404 C   0  0  0  0  0
   -4.9878    3.2173    0.2335 N   0  0  0  0  0
   -3.6772    2.5977    0.3593 C   0  0  0  0  0
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   -2.5158    4.8505    0.0706 C   0  0  0  0  0
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   -0.4472    7.9671   -0.7854 C   0  0  0  0  0
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   -0.1634    9.0488   -2.9340 C   0  0  0  0  0
   -0.7108   10.3308   -2.7136 C   0  0  0  0  0
   -0.2450   11.4623   -3.3848 C   0  0  0  0  0
    0.7859   11.3394   -4.3047 C   0  0  0  0  0
    1.3563   10.0895   -4.5420 C   0  0  0  0  0
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    1.4614    7.7091   -4.0709 O   0  0  0  0  0
    2.8138    7.6773   -4.5080 C   0  0  0  0  0
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   -6.2749    5.4883    0.5163 H   0  0  0  0  0
   -5.4501    0.9609    1.5845 H   0  0  0  0  0
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   -3.3896    2.5412    1.4152 H   0  0  0  0  0
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    2.8822    7.9121   -5.5746 H   0  0  0  0  0
    3.1830    6.6564   -4.3700 H   0  0  0  0  0
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  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
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M  END

>  <Chemical Name>
urapidil

>  <PubChem CID>
5639

>  <Formula>
C20H29N5O3

>  <Molecular Weight>
387.484000

>  <IUPAC Name>
6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3

>  <InChI Key>
ICMGLRUYEQNHPF-UHFFFAOYSA-N

