
 SCHEMBL604462

 49 52  0  0  0  0  0  0  0  0999 V2000
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    0.3739   -0.1048   -0.1301 C   0  0  0  0  0
    0.7194    1.1848   -0.3297 N   0  0  0  0  0
    2.0116    1.4896   -0.2839 C   0  0  0  0  0
    2.9951    0.6122   -0.1133 N   0  0  0  0  0
    2.6659   -0.6787    0.0664 C   0  0  0  0  0
    3.7066   -1.6059    0.2450 N   0  0  0  0  0
    4.8586   -1.1060    1.0042 C   0  0  0  0  0
    5.9326   -0.3809    0.1919 C   0  0  0  0  0
    6.7177   -1.3149   -0.7258 C   0  0  0  0  0
    6.1428   -1.5791   -2.0411 N   0  0  0  0  0
    4.6796   -1.6920   -2.0879 C   0  0  0  0  0
    3.9980   -2.4480   -0.9293 C   0  0  0  0  0
    2.3603    2.8094   -0.4899 N   0  0  0  0  0
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    1.6264    3.2651   -1.0138 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL604462

>  <PubChem CID>
44231619

>  <Formula>
C17H27N5

>  <Molecular Weight>
301.438000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC2(C1)CCCC3=C2N=C(N=C3N4CCCNCC4)N

>  <Isomeric SMILES>
C1CCC2(C1)CCCC3=C2N=C(N=C3N4CCCNCC4)N

>  <InChI Std. ID>
InChI=1S/C17H27N5/c18-16-20-14-13(5-3-8-17(14)6-1-2-7-17)15(21-16)22-11-4-9-19-10-12-22/h19H,1-12H2,(H2,18,20,21)

>  <InChI Key>
ISIGRZUYANUPKO-UHFFFAOYSA-N

