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

Systemtic Name: 5-[2-[(2,4-dimethylphenyl)methylsulfanyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-[2-[(2,4-dimethylphenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[(2,4-dimethylphenyl)methylthio]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-[2-[(2,4-dimethylphenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-[(2,4-dimethylbenzyl)thio]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSCCC2=C(NC(=NC2=O)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSCCC2=C(NC(=NC2=O)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H26N2OS/c1-16-9-10-20(17(2)13-16)15-27-12-11-21-18(3)24-22(25-23(21)26)14-19-7-5-4-6-8-19/h4-10,13H,11-12,14-15H2,1-3H3,(H,24,25,26)