(2R)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: (2R)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: (2R)-2-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-2-phenylacetate IUPAC Name: (2R)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-2-phenyl-acetate Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@H](C2=CC=CC=C2)C(=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C18H22N4O2S/c1-13-12-15(22-10-8-21(2)9-11-22)20-18(19-13)25-16(17(23)24)14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3,(H,23,24)/t16-/m1/s1