2-[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)SC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-13-8-7-9-14(2)19(13)24-20(26)15(3)27-21-22-17(12-18(25)23-21)16-10-5-4-6-11-16/h4-12,15H,1-3H3,(H,24,26)(H,22,23,25)/p-1/t15-/m0/s1