1-(2,6-diethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 1-(2,6-diethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-oxidanyl-pyrimidin-4-one Openeye Name: 1-(2,6-diethylphenyl)-6-hydroxy-2-(p-tolylmethylsulfanyl)pyrimidin-4-one CAS Name: 1-(2,6-diethylphenyl)-6-hydroxy-2-[(4-methylphenyl)methylthio]-4-pyrimidinone IUPAC Name: 1-(2,6-diethylphenyl)-6-hydroxy-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 1-(2,6-diethylphenyl)-6-hydroxy-2-[(4-methylbenzyl)thio]pyrimidin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)C)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)C)O

InChI

InChI=1S/C22H24N2O2S/c1-4-17-7-6-8-18(5-2)21(17)24-20(26)13-19(25)23-22(24)27-14-16-11-9-15(3)10-12-16/h6-13,26H,4-5,14H2,1-3H3