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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-4-22-20(27)17-7-5-16(6-8-17)15-29-21-23-18(14-28-3)13-19(24-21)26-11-9-25(2)10-12-26/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,22,27)/p+1