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

Systemtic Name: 1-[2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-sulfanylidene-pyrimidin-5-ylidene]ethanolate Openeye Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-6-thioxo-pyrimidin-5-ylidene]ethanolate CAS Name: 1-[2-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-sulfanylidene-5-pyrimidinylidene]ethanolate IUPAC Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-6-sulfanylidenepyrimidin-5-ylidene]ethanolate Traditional Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-6-thioxo-pyrimidin-5-ylidene]ethanolate Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NC(=NC1=S)C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC(=C1C(=NC(=NC1=S)C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[O-]

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/h2-11,28H,12-16H2,1H3