4-[[4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C20H27ClN5OS+ MolecularWeight: 420.97928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26ClN5OS/c1-14(2)22-19(27)16-6-4-15(5-7-16)13-28-20-23-17(21)12-18(24-20)26-10-8-25(3)9-11-26/h4-7,12,14H,8-11,13H2,1-3H3,(H,22,27)/p+1