5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide

Systemtic Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide Openeye Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide CAS Name: 5-[[[4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)-2-furancarboxamide IUPAC Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide Traditional Name: 5-[[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)-2-furamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-4-24-8-10-25(11-9-24)18-13-15(2)22-20(23-18)29-14-16-5-6-17(28-16)19(26)21-7-12-27-3/h5-6,13H,4,7-12,14H2,1-3H3,(H,21,26)/p+1