1-[bis(azanyl)methylidene]-3-(2-bromanyl-6-butyl-phenyl)urea

Systemtic Name: 1-[bis(azanyl)methylidene]-3-(2-bromanyl-6-butyl-phenyl)urea Openeye Name: 1-(2-bromo-6-butyl-phenyl)-3-(diaminomethylene)urea CAS Name: 1-(2-bromo-6-butylphenyl)-3-(diaminomethylidene)urea IUPAC Name: 1-(2-bromo-6-butylphenyl)-3-(diaminomethylidene)urea Traditional Name: 1-(2-bromo-6-butyl-phenyl)-3-(diaminomethylene)urea Formula: C12H17BrN4O MolecularWeight: 313.19358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)Br)NC(=O)N=C(N)N

Isomeric SMILES

CCCCC1=C(C(=CC=C1)Br)NC(=O)N=C(N)N

InChI

InChI=1S/C12H17BrN4O/c1-2-3-5-8-6-4-7-9(13)10(8)16-12(18)17-11(14)15/h4,6-7H,2-3,5H2,1H3,(H5,14,15,16,17,18)