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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(5-ethanoyl-2-propoxy-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-propoxy-phenyl)methyl]-2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-2-[(3-bromo-4-methoxyphenyl)methylthio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-propoxy-benzyl)-2-[(3-bromo-4-methoxy-benzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C24H25BrN2O5S MolecularWeight: 533.4347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O5S/c1-4-9-32-20-8-6-16(14(2)28)11-17(20)12-18-22(29)26-24(27-23(18)30)33-13-15-5-7-21(31-3)19(25)10-15/h5-8,10-11H,4,9,12-13H2,1-3H3,(H2,26,27,29,30)