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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-4-21-19(26)17-7-6-16(28-17)14-29-20-22-15(13-27-3)12-18(23-20)25-10-8-24(5-2)9-11-25/h6-7,12H,4-5,8-11,13-14H2,1-3H3,(H,21,26)/p+1