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

Systemtic Name: N-(2-methoxyethyl)-3-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-methoxyethyl)-3-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-methoxyethyl)-3-[[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-methoxyethyl)-3-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-methoxyethyl)-3-[[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H29N5O2S/c1-16-13-19(26-10-8-25(2)9-11-26)24-21(23-16)29-15-17-5-4-6-18(14-17)20(27)22-7-12-28-3/h4-6,13-14H,7-12,15H2,1-3H3,(H,22,27)/p+1