3-ethyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 3-ethyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-3-ethyl-6-oxo-pyrimidin-4-olate CAS Name: 3-ethyl-6-oxo-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-3-ethyl-6-oxopyrimidin-4-olate Traditional Name: 2-(benzylthio)-3-ethyl-6-keto-pyrimidin-4-olate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)N=C1SCC2=CC=CC=C2)[O-]

Isomeric SMILES

CCN1C(=CC(=O)N=C1SCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H14N2O2S/c1-2-15-12(17)8-11(16)14-13(15)18-9-10-6-4-3-5-7-10/h3-8,17H,2,9H2,1H3/p-1