5-[(4-cyclohexylphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-cyclohexylphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-cyclohexylphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-cyclohexylphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-cyclohexylphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-cyclohexylbenzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S/c1-17-22(14-18-8-11-21(12-9-18)20-6-4-3-5-7-20)25(30)28-26(27-17)34-16-19-10-13-24(33-2)23(15-19)29(31)32/h8-13,15,20H,3-7,14,16H2,1-2H3,(H,27,28,30)