2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S/c1-3-11(2)17-15(21)10-22-16-18-13(9-14(20)19-16)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,17,21)(H,18,19,20)/p-1/t11-/m0/s1