2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C(=O)C)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C(=O)C)OC)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-4-5-14-9-16(21)19-17(18-14)23-10-13-8-12(11(2)20)6-7-15(13)22-3/h6-9H,4-5,10H2,1-3H3,(H,18,19,21)/p-1