1-[7-chloranyl-5-methylsulfanyl-3-oxidanyl-1-(phenylmethyl)imidazo[1,2-c]pyrimidin-4-ium-2-yl]ethanone

Systemtic Name: 1-[7-chloranyl-5-methylsulfanyl-3-oxidanyl-1-(phenylmethyl)imidazo[1,2-c]pyrimidin-4-ium-2-yl]ethanone Openeye Name: 1-(1-benzyl-7-chloro-3-hydroxy-5-methylsulfanyl-imidazo[1,2-c]pyrimidin-4-ium-2-yl)ethanone CAS Name: 1-[7-chloro-3-hydroxy-5-(methylthio)-1-(phenylmethyl)-2-imidazo[1,2-c]pyrimidin-4-iumyl]ethanone IUPAC Name: 1-(1-benzyl-7-chloro-3-hydroxy-5-methylsulfanylimidazo[1,2-c]pyrimidin-4-ium-2-yl)ethanone Traditional Name: 1-[1-benzyl-7-chloro-3-hydroxy-5-(methylthio)imidazo[1,2-c]pyrimidin-4-ium-2-yl]ethanone Formula: C16H15ClN3O2S+ MolecularWeight: 348.8272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+]2=C(N1CC3=CC=CC=C3)C=C(N=C2SC)Cl)O

Isomeric SMILES

CC(=O)C1=C([N+]2=C(N1CC3=CC=CC=C3)C=C(N=C2SC)Cl)O

InChI

InChI=1S/C16H14ClN3O2S/c1-10(21)14-15(22)20-13(8-12(17)18-16(20)23-2)19(14)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/p+1