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

Systemtic Name: 3-(2-methoxyphenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-3-(2-methoxyphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 3-(2-methoxyphenyl)-6-oxo-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-3-(2-methoxyphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-keto-3-(2-methoxyphenyl)pyrimidin-4-olate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H16N2O3S/c1-23-15-10-6-5-9-14(15)20-17(22)11-16(21)19-18(20)24-12-13-7-3-2-4-8-13/h2-11,22H,12H2,1H3/p-1