5-[(5-bromanyl-2-oxidanyl-phenyl)-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(5-bromanyl-2-oxidanyl-phenyl)-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(5-bromo-2-hydroxy-phenyl)-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(5-bromo-2-hydroxyphenyl)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[(5-bromo-2-hydroxy-phenyl)-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one Formula: C15H11BrN4O5S2 MolecularWeight: 471.30564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)O)O

InChI

InChI=1S/C15H11BrN4O5S2/c16-4-1-2-6(21)5(3-4)7(8-10(22)17-14(26)18-11(8)23)9-12(24)19-15(27)20-13(9)25/h1-3,7,21H,(H3,17,18,22,23,26)(H3,19,20,24,25,27)