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

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-(phenacylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(3,5-dimethylbenzyl)-5-ethyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C23H24N2O2S MolecularWeight: 392.51386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H24N2O2S/c1-4-19-20(13-17-11-15(2)10-16(3)12-17)24-23(25-22(19)27)28-14-21(26)18-8-6-5-7-9-18/h5-12H,4,13-14H2,1-3H3,(H,24,25,27)