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

Systemtic Name: 2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H18N3O2S- MolecularWeight: 364.44082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S/c1-14(15-8-4-2-5-9-15)21-19(25)13-26-20-22-17(12-18(24)23-20)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,21,25)(H,22,23,24)/p-1/t14-/m1/s1