2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-[(4-ethylphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-(4-ethylbenzyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)C)C)O

InChI

InChI=1S/C22H24N2O2S/c1-4-16-7-9-17(10-8-16)12-19-20(25)23-22(24-21(19)26)27-13-18-11-14(2)5-6-15(18)3/h5-11H,4,12-13H2,1-3H3,(H2,23,24,25,26)