1-[1-(2,5-dimethylphenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[1-(2,5-dimethylphenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-(2,5-dimethylphenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[1-(2,5-dimethylphenyl)-6-methyl-4-(4-methyl-1-piperazin-4-iumyl)-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[1-(2,5-dimethylphenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-(2,5-dimethylphenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(=NC2=S)N3CC[NH+](CC3)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=NC2=S)N3CC[NH+](CC3)C)C(=O)C)C

InChI

InChI=1S/C20H26N4OS/c1-13-6-7-14(2)17(12-13)24-15(3)18(16(4)25)19(21-20(24)26)23-10-8-22(5)9-11-23/h6-7,12H,8-11H2,1-5H3/p+1