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

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-6-methyl-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-4-one Formula: C19H16N4O6S MolecularWeight: 428.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H16N4O6S/c1-11-16(9-13-8-15(23(28)29)6-7-17(13)24)18(25)21-19(20-11)30-10-12-2-4-14(5-3-12)22(26)27/h2-8,24H,9-10H2,1H3,(H,20,21,25)