N-ethyl-4-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide

Systemtic Name: N-ethyl-4-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide Openeye Name: N-ethyl-4-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: N-ethyl-4-[[[4-(methoxymethyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-N-methylbenzamide IUPAC Name: N-ethyl-4-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-ethyl-4-[[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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