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

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C20H18N4O7S MolecularWeight: 458.44452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O7S/c1-11-15(9-13-8-14(23(27)28)4-5-17(13)25)19(26)22-20(21-11)32-10-12-3-6-18(31-2)16(7-12)24(29)30/h3-8,25H,9-10H2,1-2H3,(H,21,22,26)