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

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

Click to see the large picture

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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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