
 BRN 5365697

 66 67  0  0  0  0  0  0  0  0999 V2000
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    9.9709    1.3107  -10.3306 C   0  0  0  0  0
    9.9532    1.3265  -11.4905 N   0  0  0  0  0
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    6.5762   -4.4291    0.2041 H   0  0  0  0  0
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   10.3430    1.3188   -6.6715 H   0  0  0  0  0
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   10.7892    2.0317   -8.5948 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BRN 5365697

>  <PubChem CID>
3055247

>  <Formula>
C22H34N6O2S2

>  <Molecular Weight>
478.674000

>  <IUPAC Name>
1-cyano-2,3-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]guanidine

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCNC(=NCCSCC2=CC=C(O2)CN(C)C)NC#N

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCNC(=NCCSCC2=CC=C(O2)CN(C)C)NC#N

>  <InChI Std. ID>
InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)

>  <InChI Key>
LPWXASFIPNYFQP-UHFFFAOYSA-N

