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

Systemtic Name: 5-[(3-nitrophenyl)-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-[(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C15H11N5O6S2 MolecularWeight: 421.40774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)O

InChI

InChI=1S/C15H11N5O6S2/c21-10-8(11(22)17-14(27)16-10)7(5-2-1-3-6(4-5)20(25)26)9-12(23)18-15(28)19-13(9)24/h1-4,7H,(H3,16,17,21,22,27)(H3,18,19,23,24,28)