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

Systemtic Name: 3-[[4,5-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4,5-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4,5-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4,5-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C21H30N5OS+ MolecularWeight: 400.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5OS/c1-5-22-20(27)18-8-6-7-17(13-18)14-28-21-23-16(3)15(2)19(24-21)26-11-9-25(4)10-12-26/h6-8,13H,5,9-12,14H2,1-4H3,(H,22,27)/p+1