5-[(3-bromophenyl)-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(3-bromophenyl)-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(3-bromophenyl)-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(3-bromophenyl)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(3-bromophenyl)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[(3-bromophenyl)-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one Formula: C15H11BrN4O4S2 MolecularWeight: 455.30624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN4O4S2/c16-6-3-1-2-5(4-6)7(8-10(21)17-14(25)18-11(8)22)9-12(23)19-15(26)20-13(9)24/h1-4,7H,(H3,17,18,21,22,25)(H3,19,20,23,24,26)