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

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-chloranyl-3-fluoranyl-5-methyl-benzene Openeye Name: 1-tert-butyl-3-(diaminomethylene)urea; 1-chloro-3-fluoro-5-methyl-benzene CAS Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1-chloro-3-fluoro-5-methylbenzene IUPAC Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1-chloro-3-fluoro-5-methylbenzene Traditional Name: 1-tert-butyl-3-(diaminomethylene)urea; 1-chloro-3-fluoro-5-methyl-benzene Formula: C13H20ClFN4O MolecularWeight: 302.775503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Cl)F.CC(C)(C)NC(=O)N=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)Cl)F.CC(C)(C)NC(=O)N=C(N)N

InChI

InChI=1S/C7H6ClF.C6H14N4O/c1-5-2-6(8)4-7(9)3-5;1-6(2,3)10-5(11)9-4(7)8/h2-4H,1H3;1-3H3,(H5,7,8,9,10,11)