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

Systemtic Name: 5-[(2-butoxy-5-ethanoyl-phenyl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(5-acetyl-2-butoxy-phenyl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(5-acetyl-2-butoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(5-acetyl-2-butoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(5-acetyl-2-butoxy-benzyl)-6-hydroxy-2-thioxo-1H-pyrimidin-4-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)CC2=C(NC(=S)NC2=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(NC(=S)NC2=O)O

InChI

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