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

Systemtic Name: 2-[(5-ethanoyl-2-propan-2-yloxy-phenyl)methylsulfanyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(5-acetyl-2-isopropoxy-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(5-acetyl-2-propan-2-yloxyphenyl)methylthio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(5-acetyl-2-propan-2-yloxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(5-acetyl-2-isopropoxy-benzyl)thio]-6-keto-1H-pyrimidin-4-olate Formula: C16H17N2O4S- MolecularWeight: 333.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)[O-]

InChI

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