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

Systemtic Name: 3-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-3-methyl-6-oxo-pyrimidin-4-olate CAS Name: 3-methyl-6-oxo-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-3-methyl-6-oxopyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-keto-3-methyl-pyrimidin-4-olate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N=C1SCC2=CC=CC=C2)[O-]

Isomeric SMILES

CN1C(=CC(=O)N=C1SCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H12N2O2S/c1-14-11(16)7-10(15)13-12(14)17-8-9-5-3-2-4-6-9/h2-7,16H,8H2,1H3/p-1