2-(3,5-dinitro-4-oxidanyl-phenyl)sulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(3,5-dinitro-4-oxidanyl-phenyl)sulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-(4-hydroxy-3,5-dinitro-phenyl)sulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(4-hydroxy-3,5-dinitrophenyl)thio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-(4-hydroxy-3,5-dinitrophenyl)sulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(4-hydroxy-3,5-dinitro-phenyl)thio]-1H-pyrimidin-6-one Formula: C10H6N4O7S MolecularWeight: 326.24224

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C10H6N4O7S/c15-7-3-8(16)12-10(11-7)22-4-1-5(13(18)19)9(17)6(2-4)14(20)21/h1-3,17H,(H2,11,12,15,16)