2-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]thio]pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-12(7-8-13-5-3-2-4-6-13)18-15(21)11-22-16-17-10-9-14(20)19-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,18,21)(H,17,19,20)/p-1/t12-/m0/s1