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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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