
 SCHEMBL603530

 46 49  0  0  0  0  0  0  0  0999 V2000
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   -1.9468    1.4271    0.2641 C   0  0  0  0  0
    0.5687    1.7714    0.3650 C   0  0  0  0  0
    1.8303    1.3084    0.3083 N   0  0  0  0  0
    2.0100    0.0044    0.1113 C   0  0  0  0  0
    1.0376   -0.8725   -0.1168 N   0  0  0  0  0
    3.3071   -0.4657    0.0662 N   0  0  0  0  0
    0.3592    3.1522    0.5508 N   0  0  0  0  0
    0.0586    3.5066    1.9549 C   0  0  0  0  0
    1.3269    3.7566    2.8002 C   0  0  0  0  0
    2.2408    4.7498    2.2023 N   0  0  0  0  0
    2.6179    4.2627    0.8591 C   0  0  0  0  0
    1.4035    4.0044   -0.0624 C   0  0  0  0  0
   -1.5139   -1.5429   -2.0108 C   0  0  0  0  0
   -2.3883   -2.5337   -2.4931 C   0  0  0  0  0
   -2.6262   -2.6818   -3.8623 C   0  0  0  0  0
   -1.9849   -1.8519   -4.7772 C   0  0  0  0  0
   -1.1015   -0.8776   -4.3240 C   0  0  0  0  0
   -0.8679   -0.7250   -2.9548 C   0  0  0  0  0
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    3.2636    5.0137    0.3898 H   0  0  0  0  0
    3.2299    3.3603    0.9657 H   0  0  0  0  0
    0.9360    4.9706   -0.2924 H   0  0  0  0  0
    1.7361    3.5992   -1.0270 H   0  0  0  0  0
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   -2.1684   -1.9672   -5.8420 H   0  0  0  0  0
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   -0.1676    0.0482   -2.6479 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
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  4  5  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL603530

>  <PubChem CID>
44466872

>  <Formula>
C18H23N5

>  <Molecular Weight>
309.417000

>  <IUPAC Name>
8-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C2=C(C1)C(=NC(=N2)N)N3CCNCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CC(C2=C(C1)C(=NC(=N2)N)N3CCNCC3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H23N5/c19-18-21-16-14(13-5-2-1-3-6-13)7-4-8-15(16)17(22-18)23-11-9-20-10-12-23/h1-3,5-6,14,20H,4,7-12H2,(H2,19,21,22)

>  <InChI Key>
LUZQAKHWJIHCHV-UHFFFAOYSA-N

