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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O2S/c1-13-4-9-19(26-3)16(10-13)11-18-14(2)23-21(24-20(18)25)27-12-15-5-7-17(22)8-6-15/h4-10H,11-12H2,1-3H3,(H,23,24,25)