2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 2-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 2-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C16H17N5S+2 MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C=C(NC2=N1)CSC3=[NH+]C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=[N+]2C=C(NC2=N1)CSC3=[NH+]C4=CC=CC=C4N3)C

InChI

InChI=1S/C16H15N5S/c1-10-7-11(2)21-8-12(18-15(21)17-10)9-22-16-19-13-5-3-4-6-14(13)20-16/h3-8H,9H2,1-2H3,(H,19,20)/p+2