
 SCHEMBL604850

 43 46  0  0  0  0  0  0  0  0999 V2000
   -2.5133    1.3509    0.8527 C   0  0  0  0  0
   -2.8417    1.3851   -0.6276 C   0  0  0  0  0
   -1.7853    0.5103   -1.3041 C   0  0  0  0  0
   -1.1665   -0.3904   -0.1971 C   0  0  0  0  0
   -2.0110   -0.0699    1.0631 C   0  0  0  0  0
   -1.3156   -1.8725   -0.5987 C   0  0  0  0  0
   -0.5746   -2.7794    0.3715 C   0  0  0  0  0
    0.9198   -2.4872    0.3092 C   0  0  0  0  0
    1.2554   -1.0219    0.3408 C   0  0  0  0  0
    0.3010   -0.0415    0.0793 C   0  0  0  0  0
    0.6031    1.2731    0.1306 N   0  0  0  0  0
    1.8478    1.6102    0.4532 C   0  0  0  0  0
    2.8328    0.7497    0.6804 N   0  0  0  0  0
    2.5464   -0.5643    0.6139 C   0  0  0  0  0
    3.6018   -1.4769    0.8644 N   0  0  0  0  0
    4.9404   -1.0608    1.2236 C   0  0  0  0  0
    5.4674   -2.3303    0.5478 C   0  0  0  0  0
    4.0827   -2.4352   -0.1013 C   0  0  0  0  0
    6.4900   -2.0021   -0.4555 N   0  0  0  0  0
    2.1504    2.9562    0.4925 N   0  0  0  0  0
   -3.3863    1.5746    1.4731 H   0  0  0  0  0
   -1.7357    2.0835    1.0934 H   0  0  0  0  0
   -3.8362    0.9541   -0.7963 H   0  0  0  0  0
   -2.8507    2.4040   -1.0261 H   0  0  0  0  0
   -2.2632   -0.0764   -2.0979 H   0  0  0  0  0
   -1.0367    1.1382   -1.8007 H   0  0  0  0  0
   -1.4524   -0.1619    2.0011 H   0  0  0  0  0
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   -2.3744   -2.1574   -0.6346 H   0  0  0  0  0
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   -0.9472   -2.6315    1.3922 H   0  0  0  0  0
   -0.7534   -3.8305    0.1180 H   0  0  0  0  0
    1.3991   -3.0066    1.1471 H   0  0  0  0  0
    1.3168   -2.9078   -0.6228 H   0  0  0  0  0
    5.0776   -1.0132    2.3075 H   0  0  0  0  0
    5.2410   -0.1111    0.7671 H   0  0  0  0  0
    5.7272   -3.1456    1.2299 H   0  0  0  0  0
    3.9907   -2.0733   -1.1318 H   0  0  0  0  0
    3.6104   -3.4160   -0.0031 H   0  0  0  0  0
    6.2601   -1.1986   -1.0414 H   0  0  0  0  0
    6.7014   -2.7675   -1.0938 H   0  0  0  0  0
    3.1362    3.0811    0.3125 H   0  0  0  0  0
    1.5014    3.4596   -0.0952 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  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 25  1  0  0  0
  3 26  1  0  0  0
  4 10  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 14 15  1  0  0  0
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 15 16  1  0  0  0
 16 17  1  0  0  0
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 17 19  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
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 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL604850

>  <PubChem CID>
44231622

>  <Formula>
C15H23N5

>  <Molecular Weight>
273.384000

>  <IUPAC Name>
4-(3-aminoazetidin-1-yl)spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC2(C1)CCCC3=C2N=C(N=C3N4CC(C4)N)N

>  <Isomeric SMILES>
C1CCC2(C1)CCCC3=C2N=C(N=C3N4CC(C4)N)N

>  <InChI Std. ID>
InChI=1S/C15H23N5/c16-10-8-20(9-10)13-11-4-3-7-15(5-1-2-6-15)12(11)18-14(17)19-13/h10H,1-9,16H2,(H2,17,18,19)

>  <InChI Key>
FKZZWBVJSAMSKO-UHFFFAOYSA-N

