2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C16H17FN3O3S- MolecularWeight: 350.387883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)F)[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)F)[O-])CCO

InChI

InChI=1S/C16H18FN3O3S/c1-10-13(6-7-21)15(23)20-16(19-10)24-9-14(22)18-8-11-2-4-12(17)5-3-11/h2-5,21H,6-9H2,1H3,(H,18,22)(H,19,20,23)/p-1