1-[1-azanyl-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[1-azanyl-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[1-amino-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[1-amino-1-[2-(methylthio)-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[1-amino-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[1-amino-1-[2-(methylthio)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)SC)N

Isomeric SMILES

CC(C)(C)C(=O)C1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)SC)N

InChI

InChI=1S/C17H20N5OS/c1-17(2,3)15(23)11-5-6-13-12(9-11)20-10-22(13,18)14-7-8-19-16(21-14)24-4/h5-10H,18H2,1-4H3/q+1