3,7-dimethyl-2,6-bis(oxidanylidene)-1-[4-(2-sulfosulfanylethylamino)butyl]purine

Systemtic Name: 3,7-dimethyl-2,6-bis(oxidanylidene)-1-[4-(2-sulfosulfanylethylamino)butyl]purine Openeye Name: 3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine CAS Name: 3,7-dimethyl-2,6-dioxo-1-[4-[2-(sulfothio)ethylamino]butyl]purine IUPAC Name: 3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine Traditional Name: 2,6-diketo-3,7-dimethyl-1-[4-[2-(sulfothio)ethylamino]butyl]purine Formula: C13H21N5O5S2 MolecularWeight: 391.46634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCNCCSS(=O)(=O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCNCCSS(=O)(=O)O

InChI

InChI=1S/C13H21N5O5S2/c1-16-9-15-11-10(16)12(19)18(13(20)17(11)2)7-4-3-5-14-6-8-24-25(21,22)23/h9,14H,3-8H2,1-2H3,(H,21,22,23)