2-(2-phenoxyethylsulfanyl)-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-(2-phenoxyethylsulfanyl)-6-phenyl-pyrimidin-4-olate Openeye Name: 2-(2-phenoxyethylsulfanyl)-6-phenyl-pyrimidin-4-olate CAS Name: 2-(2-phenoxyethylthio)-6-phenyl-4-pyrimidinolate IUPAC Name: 2-(2-phenoxyethylsulfanyl)-6-phenylpyrimidin-4-olate Traditional Name: 2-(2-phenoxyethylthio)-6-phenyl-pyrimidin-4-olate Formula: C18H15N2O2S- MolecularWeight: 323.3889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCOC3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCOC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H16N2O2S/c21-17-13-16(14-7-3-1-4-8-14)19-18(20-17)23-12-11-22-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21)/p-1