sodium 1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-sulfonatosulfanylethyl)purine

Systemtic Name: sodium 1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-sulfonatosulfanylethyl)purine Openeye Name: sodium 1,3-dimethyl-2,6-dioxo-7-(2-sulfonatosulfanylethyl)purine CAS Name: sodium 1,3-dimethyl-2,6-dioxo-7-[2-(sulfonatothio)ethyl]purine IUPAC Name: sodium 1,3-dimethyl-2,6-dioxo-7-(2-sulfonatosulfanylethyl)purine Traditional Name: sodium 2,6-diketo-1,3-dimethyl-7-[2-(sulfonatothio)ethyl]purine Formula: C9H11N4NaO5S2 MolecularWeight: 342.32721

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12N4O5S2.Na/c1-11-7-6(8(14)12(2)9(11)15)13(5-10-7)3-4-19-20(16,17)18;/h5H,3-4H2,1-2H3,(H,16,17,18);/q;+1/p-1