3-[[4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazin-4-iumyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NC(C)C

InChI

InChI=1S/C23H33N5OS/c1-6-27-10-12-28(13-11-27)21-17(4)18(5)25-23(26-21)30-15-19-8-7-9-20(14-19)22(29)24-16(2)3/h7-9,14,16H,6,10-13,15H2,1-5H3,(H,24,29)/p+1