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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-5-(4-fluorobenzyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C20H19FN2O2S MolecularWeight: 370.440463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)F)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)F)O)C

InChI

InChI=1S/C20H19FN2O2S/c1-12-3-6-15(13(2)9-12)11-26-20-22-18(24)17(19(25)23-20)10-14-4-7-16(21)8-5-14/h3-9H,10-11H2,1-2H3,(H2,22,23,24,25)