6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(4-carbethoxypiperazino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]pyrimidin-4-olate Formula: C20H22FN4O4S- MolecularWeight: 433.476483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C20H23FN4O4S/c1-2-29-20(28)25-9-7-24(8-10-25)18(27)12-15-11-17(26)23-19(22-15)30-13-14-5-3-4-6-16(14)21/h3-6,11H,2,7-10,12-13H2,1H3,(H,22,23,26)/p-1