2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H24N4O2S/c1-14-12-17(15-4-6-16(25-3)7-5-15)21-19(20-14)26-13-18(24)23-10-8-22(2)9-11-23/h4-7,12H,8-11,13H2,1-3H3/p+1