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

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-hydroxy-5-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-2-[(2-hydroxy-5-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C19H16N4O7S MolecularWeight: 444.41794

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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=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O7S/c1-10-15(8-11-6-13(22(27)28)2-4-16(11)24)18(26)21-19(20-10)31-9-12-7-14(23(29)30)3-5-17(12)25/h2-7,24-25H,8-9H2,1H3,(H,20,21,26)