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

Systemtic Name: 5-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-ethoxy-phenyl)methyl]-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-ethoxyphenyl)methyl]-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-ethoxy-benzyl)-2-(benzylthio)-4-hydroxy-1H-pyrimidin-6-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-3-28-19-10-9-16(14(2)25)11-17(19)12-18-20(26)23-22(24-21(18)27)29-13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H2,23,24,26,27)