1-[2-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-4-thioxo-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[2-phenyl-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[6-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[6-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-4-thioxo-1H-pyrimidin-5-yl]ethanone Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-17(28)20-22(24-21(25-23(20)29)19-10-6-3-7-11-19)27-14-12-26(13-15-27)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3,(H,24,25,29)/p+1