[5-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-2-furyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[[4-ethyl-6-(4-ethyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-2-furyl]-pyrrolidino-methanone Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CC[NH+](CC4)CC

InChI

InChI=1S/C22H31N5O2S/c1-3-17-15-20(26-13-11-25(4-2)12-14-26)24-22(23-17)30-16-18-7-8-19(29-18)21(28)27-9-5-6-10-27/h7-8,15H,3-6,9-14,16H2,1-2H3/p+1