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

Systemtic Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2S/c1-4-26-9-11-27(12-10-26)20-14-17(2)24-22(25-20)30-16-18-6-5-7-19(15-18)21(28)23-8-13-29-3/h5-7,14-15H,4,8-13,16H2,1-3H3,(H,23,28)/p+1