2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[(3,7-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetamide Formula: C9H11N5O3S MolecularWeight: 269.28034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H11N5O3S/c1-13-5-6(11-9(13)18-3-4(10)15)14(2)8(17)12-7(5)16/h3H2,1-2H3,(H2,10,15)(H,12,16,17)