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

Systemtic Name: 5-[(4-ethylphenyl)methyl]-2-[(4-ethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-ethylphenyl)methyl]-2-[(4-ethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-ethylphenyl)methyl]-2-[(4-ethylphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-ethylphenyl)methyl]-2-[(4-ethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-ethylbenzyl)-2-[(4-ethylbenzyl)thio]-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=CC=C(C=C3)CC)C

Isomeric SMILES

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

InChI

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