3-(4-fluorophenyl)-6-oxidanylidene-2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-(4-fluorophenyl)-6-oxidanylidene-2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 3-(4-fluorophenyl)-6-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 3-(4-fluorophenyl)-6-oxo-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 3-(4-fluorophenyl)-6-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 3-(4-fluorophenyl)-6-keto-2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]pyrimidin-4-olate Formula: C20H17FN3O3S- MolecularWeight: 398.430683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C20H18FN3O3S/c1-13(14-5-3-2-4-6-14)22-18(26)12-28-20-23-17(25)11-19(27)24(20)16-9-7-15(21)8-10-16/h2-11,13,27H,12H2,1H3,(H,22,26)/p-1/t13-/m1/s1