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

Systemtic Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-cyclohexylphenyl)methyl]-2-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-cyclohexylphenyl)methyl]-2-[(2-hydroxy-5-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-cyclohexylphenyl)methyl]-2-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-cyclohexylbenzyl)-2-[(2-hydroxy-5-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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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-])O)CC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-16-22(13-17-7-9-19(10-8-17)18-5-3-2-4-6-18)24(30)27-25(26-16)33-15-20-14-21(28(31)32)11-12-23(20)29/h7-12,14,18,29H,2-6,13,15H2,1H3,(H,26,27,30)