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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C16H18N2O4S/c1-3-6-22-13-5-4-11(10(2)19)7-12(13)9-23-16-17-14(20)8-15(21)18-16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,17,18,20,21)