1-[N-(2,6-dimethylphenyl)-N'-prop-2-ynyl-carbamimidoyl]urea hydrochloride

Systemtic Name: 1-[N-(2,6-dimethylphenyl)-N'-prop-2-ynyl-carbamimidoyl]urea hydrochloride Openeye Name: [N-(2,6-dimethylphenyl)-N'-prop-2-ynyl-carbamimidoyl]urea hydrochloride CAS Name: [(2,6-dimethylanilino)-prop-2-ynyliminomethyl]urea hydrochloride IUPAC Name: [N-(2,6-dimethylphenyl)-N'-prop-2-ynylcarbamimidoyl]urea hydrochloride Traditional Name: [N-(2,6-dimethylphenyl)-N'-propargyl-amidino]urea hydrochloride Formula: C13H17ClN4O MolecularWeight: 280.75328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O.ClH/c1-4-8-15-13(17-12(14)18)16-11-9(2)6-5-7-10(11)3;/h1,5-7H,8H2,2-3H3,(H4,14,15,16,17,18);1H