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

Systemtic Name: [5-[[4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[[4-isopropyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-2-furyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[[4-(4-methyl-1-piperazin-4-iumyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furanyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[[4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[[[4-isopropyl-6-(4-methylpiperazin-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:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H31N5O2S/c1-16(2)18-14-20(26-12-10-25(3)11-13-26)24-22(23-18)30-15-17-6-7-19(29-17)21(28)27-8-4-5-9-27/h6-7,14,16H,4-5,8-13,15H2,1-3H3/p+1