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

Systemtic Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-cyclohexylphenyl)methylthio]-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-cyclohexylbenzyl)thio]-5-(4-ethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C27H32N2OS MolecularWeight: 432.62078

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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)C4CCCCC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C27H32N2OS/c1-3-20-9-11-21(12-10-20)17-25-19(2)28-27(29-26(25)30)31-18-22-13-15-24(16-14-22)23-7-5-4-6-8-23/h9-16,23H,3-8,17-18H2,1-2H3,(H,28,29,30)