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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-(2-keto-2-pyrrolidino-ethyl)pyrimidin-4-olate Formula: C17H17FN3O2S- MolecularWeight: 346.399183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C17H18FN3O2S/c18-14-6-2-1-5-12(14)11-24-17-19-13(9-15(22)20-17)10-16(23)21-7-3-4-8-21/h1-2,5-6,9H,3-4,7-8,10-11H2,(H,19,20,22)/p-1