3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)NCC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)NCC(C)C

InChI

InChI=1S/C23H33N5OS/c1-5-27-9-11-28(12-10-27)21-13-18(4)25-23(26-21)30-16-19-7-6-8-20(14-19)22(29)24-15-17(2)3/h6-8,13-14,17H,5,9-12,15-16H2,1-4H3,(H,24,29)/p+1