2-hexylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 2-hexylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 2-hexylsulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-(hexylthio)-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 2-hexylsulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-(hexylthio)-6-keto-3-phenyl-pyrimidin-4-olate Formula: C16H19N2O2S- MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C=C(N1C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCCSC1=NC(=O)C=C(N1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H20N2O2S/c1-2-3-4-8-11-21-16-17-14(19)12-15(20)18(16)13-9-6-5-7-10-13/h5-7,9-10,12,20H,2-4,8,11H2,1H3/p-1