2-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate Openeye Name: 2-[(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl]thio]pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-9-4-5-10(2)12(8-9)17-14(20)11(3)21-15-16-7-6-13(19)18-15/h4-8,11H,1-3H3,(H,17,20)(H,16,18,19)/p-1/t11-/m0/s1