2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C17H19N4O2S- MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-20-7-9-21(10-8-20)16(23)12-24-17-18-14(11-15(22)19-17)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,18,19,22)/p-1