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

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-bromanyl-3-methyl-benzene Openeye Name: 1-bromo-3-methyl-benzene; 1-tert-butyl-3-(diaminomethylene)urea CAS Name: 1-bromo-3-methylbenzene; 1-tert-butyl-3-(diaminomethylidene)urea IUPAC Name: 1-bromo-3-methylbenzene; 1-tert-butyl-3-(diaminomethylidene)urea Traditional Name: 1-bromo-3-methyl-benzene; 1-tert-butyl-3-(diaminomethylene)urea Formula: C13H21BrN4O MolecularWeight: 329.23604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)Br.CC(C)(C)NC(=O)N=C(N)N

Isomeric SMILES

CC1=CC(=CC=C1)Br.CC(C)(C)NC(=O)N=C(N)N

InChI

InChI=1S/C7H7Br.C6H14N4O/c1-6-3-2-4-7(8)5-6;1-6(2,3)10-5(11)9-4(7)8/h2-5H,1H3;1-3H3,(H5,7,8,9,10,11)