5-[(2-ethanoyl-5-propoxy-phenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-[(2-ethanoyl-5-propoxy-phenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-[(2-acetyl-5-propoxy-phenyl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[(2-acetyl-5-propoxyphenyl)methyl]-2-(methylthio)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-[(2-acetyl-5-propoxyphenyl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-(2-acetyl-5-propoxy-benzyl)-6-keto-2-(methylthio)-1H-pyrimidin-4-olate Formula: C17H19N2O4S- MolecularWeight: 347.40876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)[O-]

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)[O-]

InChI

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