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

Systemtic Name: ethyl 2-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoyloxy]ethanoate Openeye Name: ethyl 2-[2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetyl]oxyacetate CAS Name: 2-[2-[(3,7-dimethyl-2,6-dioxo-8-purinyl)thio]-1-oxoethoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]oxyacetate Traditional Name: 2-[2-[(2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetyl]oxyacetic acid ethyl ester Formula: C13H16N4O6S MolecularWeight: 356.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)COC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H16N4O6S/c1-4-22-7(18)5-23-8(19)6-24-13-14-10-9(16(13)2)11(20)15-12(21)17(10)3/h4-6H2,1-3H3,(H,15,20,21)