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

Systemtic Name: 5-[(2-butoxy-5-ethanoyl-phenyl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-butoxy-phenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-butoxyphenyl)methyl]-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-butoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-butoxy-benzyl)-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)O

InChI

InChI=1S/C18H22N2O4S/c1-4-5-8-24-15-7-6-12(11(2)21)9-13(15)10-14-16(22)19-18(25-3)20-17(14)23/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,20,22,23)