1-[bis(azanyl)methylidene]-3-(4-bromanyl-2-butyl-phenyl)urea

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

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