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

Systemtic Name: N-ethyl-5-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-furan-2-carboxamide Openeye Name: N-ethyl-5-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-ethyl-6-(4-ethyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-N-methyl-2-furancarboxamide IUPAC Name: N-ethyl-5-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methylfuran-2-carboxamide Traditional Name: N-ethyl-5-[[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-N-methyl-2-furamide Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N(C)CC)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N(C)CC)N3CC[NH+](CC3)CC

InChI

InChI=1S/C21H31N5O2S/c1-5-16-14-19(26-12-10-25(7-3)11-13-26)23-21(22-16)29-15-17-8-9-18(28-17)20(27)24(4)6-2/h8-9,14H,5-7,10-13,15H2,1-4H3/p+1