5-(2-methoxy-2-oxidanylidene-ethyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-(2-methoxy-2-oxidanylidene-ethyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-(2-methoxy-2-oxo-ethyl)-6-methyl-pyrimidin-4-olate CAS Name: 5-(2-methoxy-2-oxoethyl)-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-(2-methoxy-2-oxoethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-(2-keto-2-methoxy-ethyl)-6-methyl-pyrimidin-4-olate Formula: C15H15N2O3S- MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)OC

InChI

InChI=1S/C15H16N2O3S/c1-10-12(8-13(18)20-2)14(19)17-15(16-10)21-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,19)/p-1