4-oxidanyl-5-oxidanylidene-3-(7H-purin-6-ylsulfanyl)-2-(7H-purin-6-ylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 4-oxidanyl-5-oxidanylidene-3-(7H-purin-6-ylsulfanyl)-2-(7H-purin-6-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 4-hydroxy-5-oxo-3-(7H-purin-6-ylsulfanyl)-2-(7H-purin-6-ylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 4-hydroxy-5-oxo-3-(7H-purin-6-ylthio)-2-[(7H-purin-6-ylthio)methyl]-2-furancarboxylic acid IUPAC Name: 4-hydroxy-5-oxo-3-(7H-purin-6-ylsulfanyl)-2-(7H-purin-6-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-(7H-purin-6-ylthio)-2-[(7H-purin-6-ylthio)methyl]-2-furoic acid Formula: C16H10N8O5S2 MolecularWeight: 458.4312

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC=NC5=C4NC=N5)C(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC=NC5=C4NC=N5)C(=O)O

InChI

InChI=1S/C16H10N8O5S2/c25-8-9(31-13-7-11(20-3-18-7)22-5-24-13)16(15(27)28,29-14(8)26)1-30-12-6-10(19-2-17-6)21-4-23-12/h2-5,25H,1H2,(H,27,28)(H,17,19,21,23)(H,18,20,22,24)