5-[(4-ethoxy-3-methyl-phenyl)methyl]-2-[(4-ethoxy-3-methyl-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-ethoxy-3-methyl-phenyl)methyl]-2-[(4-ethoxy-3-methyl-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-ethoxy-3-methyl-phenyl)methyl]-2-[(4-ethoxy-3-methyl-phenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(4-ethoxy-3-methylphenyl)methyl]-2-[(4-ethoxy-3-methylphenyl)methylthio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-[(4-ethoxy-3-methylphenyl)methyl]-2-[(4-ethoxy-3-methylphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(4-ethoxy-3-methyl-benzyl)-2-[(4-ethoxy-3-methyl-benzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC(=C(C=C3)OCC)C)O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC(=C(C=C3)OCC)C)O)C

InChI

InChI=1S/C24H28N2O4S/c1-5-29-20-9-7-17(11-15(20)3)13-19-22(27)25-24(26-23(19)28)31-14-18-8-10-21(30-6-2)16(4)12-18/h7-12H,5-6,13-14H2,1-4H3,(H2,25,26,27,28)