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

Systemtic Name: N-cyclopropyl-3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H30N5OS+ MolecularWeight: 412.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H29N5OS/c1-3-26-9-11-27(12-10-26)20-13-16(2)23-22(25-20)29-15-17-5-4-6-18(14-17)21(28)24-19-7-8-19/h4-6,13-14,19H,3,7-12,15H2,1-2H3,(H,24,28)/p+1