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

Systemtic Name: N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-cyclopropyl-5-[[[4-ethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-cyclopropyl-5-[[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H27N5O2S/c1-3-14-12-18(25-10-8-24(2)9-11-25)23-20(22-14)28-13-16-6-7-17(27-16)19(26)21-15-4-5-15/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H,21,26)/p+1