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

Systemtic Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-cyclohexylphenyl)methylthio]-5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-cyclohexylbenzyl)thio]-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2S/c1-18-9-14-25(31-3)23(15-18)16-24-19(2)28-27(29-26(24)30)32-17-20-10-12-22(13-11-20)21-7-5-4-6-8-21/h9-15,21H,4-8,16-17H2,1-3H3,(H,28,29,30)