6-(3,5-dimethylphenyl)-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-(3,5-dimethylphenyl)-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-(3,5-dimethylphenyl)-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-(3,5-dimethylphenyl)-5-ethyl-2-(phenacylthio)-1H-pyrimidin-4-one IUPAC Name: 6-(3,5-dimethylphenyl)-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(3,5-dimethylphenyl)-5-ethyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H22N2O2S/c1-4-18-20(17-11-14(2)10-15(3)12-17)23-22(24-21(18)26)27-13-19(25)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,23,24,26)