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

Systemtic Name: 5-ethyl-2-hexylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-ethyl-2-hexylsulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-ethyl-2-(hexylthio)-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-ethyl-2-hexylsulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-ethyl-2-(hexylthio)-6-keto-3-phenyl-pyrimidin-4-olate Formula: C18H23N2O2S- MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2S/c1-3-5-6-10-13-23-18-19-16(21)15(4-2)17(22)20(18)14-11-8-7-9-12-14/h7-9,11-12,22H,3-6,10,13H2,1-2H3/p-1