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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCNCCSS(=O)(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCNCCSS(=O)(=O)O

InChI

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