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

Systemtic Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-cyclohexylphenyl)methylthio]-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-cyclohexylbenzyl)thio]-5-(2-hydroxy-5-nitro-benzyl)-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=CC=C(C=C2)C3CCCCC3)CC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C3CCCCC3)CC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

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