1-[[5-[2-(6-azanylhexylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methyl]urea dihydrochloride

Systemtic Name: 1-[[5-[2-(6-azanylhexylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methyl]urea dihydrochloride Openeye Name: [5-[2-(6-aminohexylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl]methylurea dihydrochloride CAS Name: [5-[2-(6-aminohexylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methylurea dihydrochloride IUPAC Name: [5-[2-(6-aminohexylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methylurea dihydrochloride Traditional Name: [5-[2-(6-aminohexylamino)-1-hydroxy-ethyl]-2-hydroxy-benzyl]urea dihydrochloride Formula: C16H30Cl2N4O3 MolecularWeight: 397.3404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CNCCCCCCN)O)CNC(=O)N)O.Cl.Cl

Isomeric SMILES

C1=CC(=C(C=C1C(CNCCCCCCN)O)CNC(=O)N)O.Cl.Cl

InChI

InChI=1S/C16H28N4O3.2ClH/c17-7-3-1-2-4-8-19-11-15(22)12-5-6-14(21)13(9-12)10-20-16(18)23;;/h5-6,9,15,19,21-22H,1-4,7-8,10-11,17H2,(H3,18,20,23);2*1H