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

Systemtic Name: 1-[bis(azanyl)methylidene]-3-(4-butyl-2-chloranyl-phenyl)urea Openeye Name: 1-(4-butyl-2-chloro-phenyl)-3-(diaminomethylene)urea CAS Name: 1-(4-butyl-2-chlorophenyl)-3-(diaminomethylidene)urea IUPAC Name: 1-(4-butyl-2-chlorophenyl)-3-(diaminomethylidene)urea Traditional Name: 1-(4-butyl-2-chloro-phenyl)-3-(diaminomethylene)urea Formula: C12H17ClN4O MolecularWeight: 268.74258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN4O/c1-2-3-4-8-5-6-10(9(13)7-8)16-12(18)17-11(14)15/h5-7H,2-4H2,1H3,(H5,14,15,16,17,18)