6-phenyl-2-propan-2-ylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-phenyl-2-propan-2-ylsulfanyl-pyrimidin-4-olate Openeye Name: 2-isopropylsulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 6-phenyl-2-(propan-2-ylthio)-4-pyrimidinolate IUPAC Name: 6-phenyl-2-propan-2-ylsulfanylpyrimidin-4-olate Traditional Name: 2-(isopropylthio)-6-phenyl-pyrimidin-4-olate Formula: C13H13N2OS- MolecularWeight: 245.32012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2OS/c1-9(2)17-13-14-11(8-12(16)15-13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)/p-1