1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 3-chloranylbenzenecarbonitrile

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 3-chloranylbenzenecarbonitrile Openeye Name: 1-tert-butyl-3-(diaminomethylene)urea; 3-chlorobenzonitrile CAS Name: 1-tert-butyl-3-(diaminomethylidene)urea; 3-chlorobenzonitrile IUPAC Name: 1-tert-butyl-3-(diaminomethylidene)urea; 3-chlorobenzonitrile Traditional Name: 1-tert-butyl-3-(diaminomethylene)urea; 3-chlorobenzonitrile Formula: C13H18ClN5O MolecularWeight: 295.76792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)Cl)C#N

Isomeric SMILES

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)Cl)C#N

InChI

InChI=1S/C7H4ClN.C6H14N4O/c8-7-3-1-2-6(4-7)5-9;1-6(2,3)10-5(11)9-4(7)8/h1-4H;1-3H3,(H5,7,8,9,10,11)