2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethanoate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]acetate IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]acetate Formula: C9H9N4O4S- MolecularWeight: 269.25716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)[O-]

InChI

InChI=1S/C9H10N4O4S/c1-12-6-5(7(16)13(2)9(12)17)10-8(11-6)18-3-4(14)15/h3H2,1-2H3,(H,10,11)(H,14,15)/p-1