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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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