2-[3-(1H-imidazol-5-yl)propyl]-1-[1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]butan-2-yl]guanidine trihydrochloride

Systemtic Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]butan-2-yl]guanidine trihydrochloride Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-[(5-methyl-1H-imidazol-4-yl)methylsulfanylmethyl]propyl]guanidine trihydrochloride CAS Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-[(5-methyl-1H-imidazol-4-yl)methylthio]butan-2-yl]guanidine trihydrochloride IUPAC Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]butan-2-yl]guanidine trihydrochloride Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-[[(5-methyl-1H-imidazol-4-yl)methylthio]methyl]propyl]guanidine trihydrochloride Formula: C16H30Cl3N7S MolecularWeight: 458.8803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSCC1=C(NC=N1)C)NC(=NCCCC2=CN=CN2)N.Cl.Cl.Cl

Isomeric SMILES

CCC(CSCC1=C(NC=N1)C)NC(=NCCCC2=CN=CN2)N.Cl.Cl.Cl

InChI

InChI=1S/C16H27N7S.3ClH/c1-3-13(8-24-9-15-12(2)20-11-22-15)23-16(17)19-6-4-5-14-7-18-10-21-14;;;/h7,10-11,13H,3-6,8-9H2,1-2H3,(H,18,21)(H,20,22)(H3,17,19,23);3*1H