2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)C(=O)C)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)C(=O)C)OCC

InChI

InChI=1S/C18H22N2O3S/c1-4-6-15-10-17(22)20-18(19-15)24-11-14-9-13(12(3)21)7-8-16(14)23-5-2/h7-10H,4-6,11H2,1-3H3,(H,19,20,22)