6-methyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidin-4-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)[O-]

InChI

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