3-tert-butyl-1-carbamimidoyl-1-ethyl-urea; 3-chloranylbenzenecarbonitrile

Systemtic Name: 3-tert-butyl-1-carbamimidoyl-1-ethyl-urea; 3-chloranylbenzenecarbonitrile Openeye Name: 3-tert-butyl-1-carbamimidoyl-1-ethyl-urea; 3-chlorobenzonitrile CAS Name: 3-tert-butyl-1-carbamimidoyl-1-ethylurea; 3-chlorobenzonitrile IUPAC Name: 3-tert-butyl-1-carbamimidoyl-1-ethylurea; 3-chlorobenzonitrile Traditional Name: 1-amidino-3-tert-butyl-1-ethyl-urea; 3-chlorobenzonitrile Formula: C15H22ClN5O MolecularWeight: 323.82108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18N4O.C7H4ClN/c1-5-12(6(9)10)7(13)11-8(2,3)4;8-7-3-1-2-6(4-7)5-9/h5H2,1-4H3,(H3,9,10)(H,11,13);1-4H