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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)C4CCCCC4

InChI

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