1-[5-[2-[(4-imidazol-1-yl-2-methyl-butan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]urea

Systemtic Name: 1-[5-[2-[(4-imidazol-1-yl-2-methyl-butan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]urea Openeye Name: [2-hydroxy-5-[1-hydroxy-2-[(3-imidazol-1-yl-1,1-dimethyl-propyl)amino]ethyl]phenyl]urea CAS Name: [2-hydroxy-5-[1-hydroxy-2-[[4-(1-imidazolyl)-2-methylbutan-2-yl]amino]ethyl]phenyl]urea IUPAC Name: [2-hydroxy-5-[1-hydroxy-2-[(4-imidazol-1-yl-2-methylbutan-2-yl)amino]ethyl]phenyl]urea Traditional Name: [2-hydroxy-5-[1-hydroxy-2-[(3-imidazol-1-yl-1,1-dimethyl-propyl)amino]ethyl]phenyl]urea Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=CN=C1)NCC(C2=CC(=C(C=C2)O)NC(=O)N)O

Isomeric SMILES

CC(C)(CCN1C=CN=C1)NCC(C2=CC(=C(C=C2)O)NC(=O)N)O

InChI

InChI=1S/C17H25N5O3/c1-17(2,5-7-22-8-6-19-11-22)20-10-15(24)12-3-4-14(23)13(9-12)21-16(18)25/h3-4,6,8-9,11,15,20,23-24H,5,7,10H2,1-2H3,(H3,18,21,25)