1-[6-methyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-1-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[6-methyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)-2-thioxo-pyrimidin-5-yl]ethanone Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C

InChI

InChI=1S/C22H23N5OS/c1-16-20(17(2)28)21(24-22(29)27(16)18-8-4-3-5-9-18)26-14-12-25(13-15-26)19-10-6-7-11-23-19/h3-11H,12-15H2,1-2H3/p+1