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

Systemtic Name: N-ethyl-5-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-ethyl-5-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-(methoxymethyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-ethyl-5-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-ethyl-5-[[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CC[NH+](CC3)C)COC

Isomeric SMILES

CCNC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CC[NH+](CC3)C)COC

InChI

InChI=1S/C19H27N5O3S/c1-4-20-18(25)16-6-5-15(27-16)13-28-19-21-14(12-26-3)11-17(22-19)24-9-7-23(2)8-10-24/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,20,25)/p+1