1-[bis(azanyl)methylidene]-3-(4-bromanyl-2,6-diethyl-phenyl)urea

Systemtic Name: 1-[bis(azanyl)methylidene]-3-(4-bromanyl-2,6-diethyl-phenyl)urea Openeye Name: 1-(4-bromo-2,6-diethyl-phenyl)-3-(diaminomethylene)urea CAS Name: 1-(4-bromo-2,6-diethylphenyl)-3-(diaminomethylidene)urea IUPAC Name: 1-(4-bromo-2,6-diethylphenyl)-3-(diaminomethylidene)urea Traditional Name: 1-(4-bromo-2,6-diethyl-phenyl)-3-(diaminomethylene)urea Formula: C12H17BrN4O MolecularWeight: 313.19358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)N=C(N)N)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)N=C(N)N)CC)Br

InChI

InChI=1S/C12H17BrN4O/c1-3-7-5-9(13)6-8(4-2)10(7)16-12(18)17-11(14)15/h5-6H,3-4H2,1-2H3,(H5,14,15,16,17,18)