1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 2-bromanyl-1,3-bis(chloranyl)-4-methyl-benzene

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 2-bromanyl-1,3-bis(chloranyl)-4-methyl-benzene Openeye Name: 2-bromo-1,3-dichloro-4-methyl-benzene; 1-tert-butyl-3-(diaminomethylene)urea CAS Name: 2-bromo-1,3-dichloro-4-methylbenzene; 1-tert-butyl-3-(diaminomethylidene)urea IUPAC Name: 2-bromo-1,3-dichloro-4-methylbenzene; 1-tert-butyl-3-(diaminomethylidene)urea Traditional Name: 2-bromo-1,3-dichloro-4-methyl-benzene; 1-tert-butyl-3-(diaminomethylene)urea Formula: C13H19BrCl2N4O MolecularWeight: 398.12616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5BrCl2.C6H14N4O/c1-4-2-3-5(9)6(8)7(4)10;1-6(2,3)10-5(11)9-4(7)8/h2-3H,1H3;1-3H3,(H5,7,8,9,10,11)