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

Systemtic Name: 5-[[3-[(4-nitrophenyl)methoxy]phenyl]-(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-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-[3-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-[3-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-[(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)-[3-(4-nitrobenzyl)oxyphenyl]methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C22H17N5O7S2 MolecularWeight: 527.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C3=C(NC(=S)NC3=O)O)C4=C(NC(=S)NC4=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C3=C(NC(=S)NC3=O)O)C4=C(NC(=S)NC4=O)O

InChI

InChI=1S/C22H17N5O7S2/c28-17-15(18(29)24-21(35)23-17)14(16-19(30)25-22(36)26-20(16)31)11-2-1-3-13(8-11)34-9-10-4-6-12(7-5-10)27(32)33/h1-8,14H,9H2,(H3,23,24,28,29,35)(H3,25,26,30,31,36)