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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-[(3-methyl-4-propoxy-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-hydroxy-5-[(3-methyl-4-propoxy-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-4-hydroxy-5-(3-methyl-4-propoxy-benzyl)-1H-pyrimidin-6-one Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)C(=O)C)OC)O)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)C(=O)C)OC)O)C

InChI

InChI=1S/C25H28N2O5S/c1-5-10-32-21-8-6-17(11-15(21)2)12-20-23(29)26-25(27-24(20)30)33-14-19-13-18(16(3)28)7-9-22(19)31-4/h6-9,11,13H,5,10,12,14H2,1-4H3,(H2,26,27,29,30)