2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-(4-methylphenoxy)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-(4-methylphenoxy)-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-(4-methylphenoxy)-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-6-methyl-5-(4-methylphenoxy)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-(4-methylphenoxy)-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-6-methyl-5-(4-methylphenoxy)-1H-pyrimidin-4-one Formula: C19H17ClN2O2S MolecularWeight: 372.86848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H17ClN2O2S/c1-12-3-9-16(10-4-12)24-17-13(2)21-19(22-18(17)23)25-11-14-5-7-15(20)8-6-14/h3-10H,11H2,1-2H3,(H,21,22,23)