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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2OS/c1-5-18-8-10-19(11-9-18)13-21-17(4)24-23(25-22(21)26)27-14-20-12-15(2)6-7-16(20)3/h6-12H,5,13-14H2,1-4H3,(H,24,25,26)