5-(2-azanylbutan-2-yl)-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-amine

Systemtic Name: 5-(2-azanylbutan-2-yl)-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-amine Openeye Name: 5-(1-amino-1-methyl-propyl)-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-amine CAS Name: 5-(2-aminobutan-2-yl)-1-[2-(methylthio)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-(2-aminobutan-2-yl)-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-1-amine Traditional Name: [5-(1-amino-1-methyl-propyl)-1-[2-(methylthio)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C16H21N6S+ MolecularWeight: 329.44314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N6S/c1-4-16(2,17)11-5-6-13-12(9-11)20-10-22(13,18)14-7-8-19-15(21-14)23-3/h5-10H,4,17-18H2,1-3H3/q+1