2-[(2-chlorophenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-5-(3,4-dimethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C21H21ClN2OS/c1-13-8-9-16(10-14(13)2)11-18-15(3)23-21(24-20(18)25)26-12-17-6-4-5-7-19(17)22/h4-10H,11-12H2,1-3H3,(H,23,24,25)