3-[1-(benzimidazol-1-yl)propan-2-yl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride

Systemtic Name: 3-[1-(benzimidazol-1-yl)propan-2-yl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride Openeye Name: 3-[2-(benzimidazol-1-yl)-1-methyl-ethyl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride CAS Name: 3-[1-(1-benzimidazolyl)propan-2-yl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride IUPAC Name: 3-[1-(benzimidazol-1-yl)propan-2-yl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride Traditional Name: 3-[2-(benzimidazol-1-yl)-1-methyl-ethyl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride Formula: C13H17Cl2N5O2 MolecularWeight: 346.21238

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=CC=CC=C21)NC(=O)N(CCCl)N=O.Cl

Isomeric SMILES

CC(CN1C=NC2=CC=CC=C21)NC(=O)N(CCCl)N=O.Cl

InChI

InChI=1S/C13H16ClN5O2.ClH/c1-10(16-13(20)19(17-21)7-6-14)8-18-9-15-11-4-2-3-5-12(11)18;/h2-5,9-10H,6-8H2,1H3,(H,16,20);1H