5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(4-ethyl-1-piperazin-4-iumyl)-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(4-ethylpiperazin-4-ium-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C18H24N4O4S/c1-3-21-6-8-22(9-7-21)16-10-13(11-25-2)19-18(20-16)27-12-14-4-5-15(26-14)17(23)24/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,23,24)