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

Systemtic Name: 5-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-ethoxy-phenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-ethoxyphenyl)methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-ethoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-ethoxy-benzyl)-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one Formula: C16H18N2O4S MolecularWeight: 334.39012

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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)SC)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)O

InChI

InChI=1S/C16H18N2O4S/c1-4-22-13-6-5-10(9(2)19)7-11(13)8-12-14(20)17-16(23-3)18-15(12)21/h5-7H,4,8H2,1-3H3,(H2,17,18,20,21)