6-(3-methoxy-4-oxidanyl-phenyl)-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-one

Systemtic Name: 6-(3-methoxy-4-oxidanyl-phenyl)-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-one Openeye Name: 6-(4-hydroxy-3-methoxy-phenyl)-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-one CAS Name: 6-(4-hydroxy-3-methoxyphenyl)-2-(phenacylthio)-3-phenyl-4-pyrimidinone IUPAC Name: 6-(4-hydroxy-3-methoxyphenyl)-2-phenacylsulfanyl-3-phenylpyrimidin-4-one Traditional Name: 6-(4-hydroxy-3-methoxy-phenyl)-2-(phenacylthio)-3-phenyl-pyrimidin-4-one Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H20N2O4S/c1-31-23-14-18(12-13-21(23)28)20-15-24(30)27(19-10-6-3-7-11-19)25(26-20)32-16-22(29)17-8-4-2-5-9-17/h2-15,28H,16H2,1H3