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

Systemtic Name: 2-[(5-ethanoyl-2-propoxy-phenyl)-sulfanyl-methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(5-acetyl-2-propoxy-phenyl)-sulfanyl-methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(5-acetyl-2-propoxyphenyl)-mercaptomethyl]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[(5-acetyl-2-propoxyphenyl)-sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[(5-acetyl-2-propoxy-phenyl)-mercapto-methyl]-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)C(C2=NC(=CC(=O)N2)O)S

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)C(C2=NC(=CC(=O)N2)O)S

InChI

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