1-[3-(2-azanyl-1H-imidazol-5-yl)propyl]-3-(4-chloranyl-3-fluoranyl-phenyl)urea hydrochloride

Systemtic Name: 1-[3-(2-azanyl-1H-imidazol-5-yl)propyl]-3-(4-chloranyl-3-fluoranyl-phenyl)urea hydrochloride Openeye Name: 1-[3-(2-amino-1H-imidazol-5-yl)propyl]-3-(4-chloro-3-fluoro-phenyl)urea hydrochloride CAS Name: 1-[3-(2-amino-1H-imidazol-5-yl)propyl]-3-(4-chloro-3-fluorophenyl)urea hydrochloride IUPAC Name: 1-[3-(2-amino-1H-imidazol-5-yl)propyl]-3-(4-chloro-3-fluorophenyl)urea hydrochloride Traditional Name: 1-[3-(2-amino-1H-imidazol-5-yl)propyl]-3-(4-chloro-3-fluoro-phenyl)urea hydrochloride Formula: C13H16Cl2FN5O MolecularWeight: 348.203443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NCCCC2=CN=C(N2)N)F)Cl.Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NCCCC2=CN=C(N2)N)F)Cl.Cl

InChI

InChI=1S/C13H15ClFN5O.ClH/c14-10-4-3-8(6-11(10)15)20-13(21)17-5-1-2-9-7-18-12(16)19-9;/h3-4,6-7H,1-2,5H2,(H3,16,18,19)(H2,17,20,21);1H