1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-bromanyl-3-chloranyl-5-fluoranyl-benzene

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-bromanyl-3-chloranyl-5-fluoranyl-benzene Openeye Name: 1-bromo-3-chloro-5-fluoro-benzene; 1-tert-butyl-3-(diaminomethylene)urea CAS Name: 1-bromo-3-chloro-5-fluorobenzene; 1-tert-butyl-3-(diaminomethylidene)urea IUPAC Name: 1-bromo-3-chloro-5-fluorobenzene; 1-tert-butyl-3-(diaminomethylidene)urea Traditional Name: 1-bromo-3-chloro-5-fluoro-benzene; 1-tert-butyl-3-(diaminomethylene)urea Formula: C12H17BrClFN4O MolecularWeight: 367.644983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N=C(N)N.C1=C(C=C(C=C1Cl)Br)F

Isomeric SMILES

CC(C)(C)NC(=O)N=C(N)N.C1=C(C=C(C=C1Cl)Br)F

InChI

InChI=1S/C6H3BrClF.C6H14N4O/c7-4-1-5(8)3-6(9)2-4;1-6(2,3)10-5(11)9-4(7)8/h1-3H;1-3H3,(H5,7,8,9,10,11)