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

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-1-methylpropyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[(2S)-butan-2-yl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(2S)-butan-2-yl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[(1S)-1-methylpropyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C14H15N2OS- MolecularWeight: 259.3467

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)SC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H16N2OS/c1-3-10(2)18-14-15-12(9-13(17)16-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16,17)/p-1/t10-/m0/s1