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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)O

InChI

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