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

Systemtic Name: 5-[(2-ethanoyl-5-propoxy-phenyl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(2-acetyl-5-propoxy-phenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(2-acetyl-5-propoxyphenyl)methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(2-acetyl-5-propoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-(2-acetyl-5-propoxy-benzyl)-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)O

InChI

InChI=1S/C17H20N2O4S/c1-4-7-23-12-5-6-13(10(2)20)11(8-12)9-14-15(21)18-17(24-3)19-16(14)22/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,21,22)