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

Systemtic Name: 5-[(4-nitrophenyl)-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-6-oxidanyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 6-hydroxy-5-[(4-hydroxy-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-thioxo-hexahydropyrimidin-4-one CAS Name: 6-hydroxy-5-[(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 6-hydroxy-5-[(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 6-hydroxy-5-[(4-hydroxy-6-keto-2-thioxo-hexahydropyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-thioxo-hexahydropyrimidin-4-one Formula: C15H15N5O6S2 MolecularWeight: 425.4395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2C(NC(=S)NC2=O)O)C3C(NC(=S)NC3=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C2C(NC(=S)NC2=O)O)C3C(NC(=S)NC3=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O6S2/c21-10-8(11(22)17-14(27)16-10)7(5-1-3-6(4-2-5)20(25)26)9-12(23)18-15(28)19-13(9)24/h1-4,7-10,12,21,23H,(H2,16,17,22,27)(H2,18,19,24,28)