2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-cyclohexylphenyl)methylthio]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-cyclohexylbenzyl)thio]-5-(3,4-dimethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)C4CCCCC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)C4CCCCC4)C)C

InChI

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