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

Systemtic Name: 1-[4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-fluoranyl-6-iodanyl-phenyl]-3-methyl-urea hydrochloride Openeye Name: 1-[4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-fluoro-6-iodo-phenyl]-3-methyl-urea hydrochloride CAS Name: 1-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-fluoro-6-iodophenyl]-3-methylurea hydrochloride IUPAC Name: 1-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-fluoro-6-iodophenyl]-3-methylurea hydrochloride Traditional Name: 1-[4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-fluoro-6-iodo-phenyl]-3-methyl-urea hydrochloride Formula: C14H22ClFIN3O2 MolecularWeight: 445.699253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C(=C1)I)NC(=O)NC)F)O.Cl

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C(=C1)I)NC(=O)NC)F)O.Cl

InChI

InChI=1S/C14H21FIN3O2.ClH/c1-14(2,3)18-7-11(20)8-5-9(15)12(10(16)6-8)19-13(21)17-4;/h5-6,11,18,20H,7H2,1-4H3,(H2,17,19,21);1H