5-methoxy-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-methoxy-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-methoxy-pyrimidin-4-olate CAS Name: 5-methoxy-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-methoxypyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-methoxy-pyrimidin-4-olate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1[O-])SCC2=CC=CC=C2

Isomeric SMILES

COC1=CN=C(N=C1[O-])SCC2=CC=CC=C2

InChI

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