1-[4-[2-(cyclopropylamino)-1-oxidanyl-ethyl]-2-fluoranyl-6-iodanyl-phenyl]-3-methyl-urea hydrochloride

Systemtic Name: 1-[4-[2-(cyclopropylamino)-1-oxidanyl-ethyl]-2-fluoranyl-6-iodanyl-phenyl]-3-methyl-urea hydrochloride Openeye Name: 1-[4-[2-(cyclopropylamino)-1-hydroxy-ethyl]-2-fluoro-6-iodo-phenyl]-3-methyl-urea hydrochloride CAS Name: 1-[4-[2-(cyclopropylamino)-1-hydroxyethyl]-2-fluoro-6-iodophenyl]-3-methylurea hydrochloride IUPAC Name: 1-[4-[2-(cyclopropylamino)-1-hydroxyethyl]-2-fluoro-6-iodophenyl]-3-methylurea hydrochloride Traditional Name: 1-[4-[2-(cyclopropylamino)-1-hydroxy-ethyl]-2-fluoro-6-iodo-phenyl]-3-methyl-urea hydrochloride Formula: C13H18ClFIN3O2 MolecularWeight: 429.656793

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C=C(C=C1I)C(CNC2CC2)O)F.Cl

Isomeric SMILES

CNC(=O)NC1=C(C=C(C=C1I)C(CNC2CC2)O)F.Cl

InChI

InChI=1S/C13H17FIN3O2.ClH/c1-16-13(20)18-12-9(14)4-7(5-10(12)15)11(19)6-17-8-2-3-8;/h4-5,8,11,17,19H,2-3,6H2,1H3,(H2,16,18,20);1H