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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC(C)C)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC(C)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H31N5O2S/c1-14(2)17-12-19(26-10-8-25(5)9-11-26)24-21(23-17)29-13-16-6-7-18(28-16)20(27)22-15(3)4/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,22,27)/p+1