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

Systemtic Name: 5-[(5-ethanoyl-2-propoxy-phenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-propoxy-phenyl)methyl]-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-propoxy-benzyl)-2-(benzylthio)-4-hydroxy-1H-pyrimidin-6-one Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4S/c1-3-11-29-20-10-9-17(15(2)26)12-18(20)13-19-21(27)24-23(25-22(19)28)30-14-16-7-5-4-6-8-16/h4-10,12H,3,11,13-14H2,1-2H3,(H2,24,25,27,28)