hexyl 5-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethylsulfanylmethyl]-4-methyl-imidazole-1-carboxylate

Systemtic Name: hexyl 5-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethylsulfanylmethyl]-4-methyl-imidazole-1-carboxylate Openeye Name: hexyl 5-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethylsulfanylmethyl]-4-methyl-imidazole-1-carboxylate CAS Name: 5-[[2-[[(cyanoamino)-methyliminomethyl]amino]ethylthio]methyl]-4-methyl-1-imidazolecarboxylic acid hexyl ester IUPAC Name: hexyl 5-[2-[(N-cyano-N'-methylcarbamimidoyl)amino]ethylsulfanylmethyl]-4-methylimidazole-1-carboxylate Traditional Name: 5-[[2-[(N-cyano-N'-methyl-amidino)amino]ethylthio]methyl]-4-methyl-imidazole-1-carboxylic acid hexyl ester Formula: C17H28N6O2S MolecularWeight: 380.50822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N1C=NC(=C1CSCCNC(=NC)NC#N)C

Isomeric SMILES

CCCCCCOC(=O)N1C=NC(=C1CSCCNC(=NC)NC#N)C

InChI

InChI=1S/C17H28N6O2S/c1-4-5-6-7-9-25-17(24)23-13-22-14(2)15(23)11-26-10-8-20-16(19-3)21-12-18/h13H,4-11H2,1-3H3,(H2,19,20,21)