2-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]sulfanylpyrimidin-4-olate Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-keto-2-mesidino-1-methyl-ethyl]thio]pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC=CC(=N2)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)SC2=NC=CC(=N2)[O-])C

InChI

InChI=1S/C16H19N3O2S/c1-9-7-10(2)14(11(3)8-9)19-15(21)12(4)22-16-17-6-5-13(20)18-16/h5-8,12H,1-4H3,(H,19,21)(H,17,18,20)/p-1/t12-/m0/s1