1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-bromanyl-3-fluoranyl-benzene

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-bromanyl-3-fluoranyl-benzene Openeye Name: 1-bromo-3-fluoro-benzene; 1-tert-butyl-3-(diaminomethylene)urea CAS Name: 1-bromo-3-fluorobenzene; 1-tert-butyl-3-(diaminomethylidene)urea IUPAC Name: 1-bromo-3-fluorobenzene; 1-tert-butyl-3-(diaminomethylidene)urea Traditional Name: 1-bromo-3-fluoro-benzene; 1-tert-butyl-3-(diaminomethylene)urea Formula: C12H18BrFN4O MolecularWeight: 333.199923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)Br)F

Isomeric SMILES

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)Br)F

InChI

InChI=1S/C6H4BrF.C6H14N4O/c7-5-2-1-3-6(8)4-5;1-6(2,3)10-5(11)9-4(7)8/h1-4H;1-3H3,(H5,7,8,9,10,11)