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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-5-[(4-cyclohexylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-5-(4-cyclohexylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C25H27ClN2OS MolecularWeight: 439.01268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2Cl)CC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2Cl)CC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C25H27ClN2OS/c1-17-22(15-18-11-13-20(14-12-18)19-7-3-2-4-8-19)24(29)28-25(27-17)30-16-21-9-5-6-10-23(21)26/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,27,28,29)