N-ethyl-5-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-ethyl-5-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-ethyl-5-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-ethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-ethyl-5-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-ethyl-5-[[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H27N5O2S/c1-4-14-12-17(24-10-8-23(3)9-11-24)22-19(21-14)27-13-15-6-7-16(26-15)18(25)20-5-2/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,25)/p+1