1-(4-methylphenyl)-6-oxidanylidene-5-[[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-(4-methylphenyl)-6-oxidanylidene-5-[[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylene]-6-oxo-1-(p-tolyl)-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[2-(4-benzoyl-1-piperazin-1-iumyl)ethylamino]methylidene]-1-(4-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-1-(4-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylene]-6-keto-1-(p-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=NC2=S)[O-]

InChI

InChI=1S/C25H27N5O3S/c1-18-7-9-20(10-8-18)30-24(33)21(22(31)27-25(30)34)17-26-11-12-28-13-15-29(16-14-28)23(32)19-5-3-2-4-6-19/h2-10,17,26H,11-16H2,1H3,(H,27,31,34)