tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-yl]carbamate Openeye Name: tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-yl]carbamate CAS Name: N-[1-[2-(methylthio)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-yl]carbamate Traditional Name: N-[1-[2-(methylthio)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamic acid tert-butyl ester Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)SC

InChI

InChI=1S/C17H19N5O2S/c1-17(2,3)24-16(23)21-22(14-9-10-18-15(20-14)25-4)11-19-12-7-5-6-8-13(12)22/h5-11H,1-4H3/p+1