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

Systemtic Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-(4-cyclohexylbenzyl)-6-methyl-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C25H27N3O3S/c1-17-23(15-18-7-11-21(12-8-18)20-5-3-2-4-6-20)24(29)27-25(26-17)32-16-19-9-13-22(14-10-19)28(30)31/h7-14,20H,2-6,15-16H2,1H3,(H,26,27,29)